Geometry & MOs

Info

ID:	236918
PubChem CID:	92716200
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	536.315127
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	3.19
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-[(4-ethylphenyl)methyl]-3,8-dimethyl-N-(4-methylcyclohexyl)-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=C(C=CC=C1C)C)N2C(=CC3=C2SC=C3)C(=O)OC

DOS

IR

Vibrations