Geometry & MOs

Info

ID:	174844
PubChem CID:	75821791
Reduced:	FSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	395.163377
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	4.13
IP(EA), eV:	-9.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3H-benzo[e]indole-2-carbonyl)-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-hydroxyprop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NCC1(CCCC1)C2=CC=C(C=C2)F)C3=CC=CS3

DOS

IR

Vibrations