Geometry & MOs

Info

ID:	222117
PubChem CID:	85294390
Reduced:	SiO6C44H52 (1)
Stoich.:	AB6C44D52 (1)
Weight, g/mol:	710.320331
ΔH_f, kcal/mol:	-192.58
Dipole, Da:	2.01
IP(EA), eV:	-8.97(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 6-O-methyl 4-[(4-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(phenylmethoxycarbonyloxymethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-3,6-dicarboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(C(C(COCC3=CC=CC=C3)OCOC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(C(C(COCC3=CC=CC=C3)OCOC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):