Geometry & MOs

Info

ID:	47161
PubChem CID:	10530061
Reduced:	SO6N7C22H33 (1)
Stoich.:	AB6C7D22E33 (1)
Weight, g/mol:	523.287515
ΔH_f, kcal/mol:	-225.83
Dipole, Da:	3.53
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3'S,6S)-3'-ethyl-1',3'-dimethyl-4-(4-methylphenyl)-2-phenylspiro[cyclohexa-2,4-diene-6,2'-indole]-1-yl]-(4-methylphenyl)methanone

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

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCC[C@@H](C2=O)NC(=O)NS(=O)(=O)C3=CC=CC=C3

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

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCC[C@@H](C2=O)NC(=O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):