Geometry & MOs

Info

ID:	61598
PubChem CID:	26710884
Reduced:	S2O3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	5.02
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations