Geometry & MOs

Info

ID:	84384
PubChem CID:	49866129
Reduced:	N2O7C28H34 (1)
Stoich.:	A2B7C28D34 (1)
Weight, g/mol:	554.241687
ΔH_f, kcal/mol:	-262.22
Dipole, Da:	4.4
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,10R,13S)-5,7,8-trimethoxy-6-methyl-12-oxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaen-10-yl]methyl (E)-3-phenylprop-2-enoate

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

CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=CC=CC=C5C[C@@H](C3=O)N4C(=O)OC(C)C)CO)C(=C1OC)OC)OC

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

CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=CC=CC=C5C[C@@H](C3=O)N4C(=O)OC(C)C)CO)C(=C1OC)OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):