Geometry & MOs

Info

ID:	320207
PubChem CID:	126658706
Reduced:	SO8C30H44 (1)
Stoich.:	AB8C30D44 (1)
Weight, g/mol:	554.331564
ΔH_f, kcal/mol:	-277.99
Dipole, Da:	2.9
IP(EA), eV:	-8.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-2-methylpropyl] N-[3-[(2-aminoacetyl)amino]propyl]carbamate

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(=CC[C@H]1C(O1)(C)[C@@H]2CCOCCC[C@H]([C@H]2OC)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OCCOSC)C

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(=CC[C@H]1C(O1)(C)[C@@H]2CCOCCC[C@H]([C@H]2OC)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OCCOSC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):