Geometry & MOs

Info

ID:	32076
PubChem CID:	4265961
Reduced:	NO3C19H26 (2)
Stoich.:	AB3C19D26 (2)
Weight, g/mol:	252.07212
ΔH_f, kcal/mol:	-223.96
Dipole, Da:	10.13
IP(EA), eV:	-9.46(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NC6=CC(=CC=C6)[N+](=O)[O-])C)C)C)C

DOS

IR

Vibrations