Geometry & MOs

Info

ID:	37719
PubChem CID:	8023628
Reduced:	ClNOSC18H20 (1)
Stoich.:	ABCDE18F20 (1)
Weight, g/mol:	404.155849
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	6.34
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC(=O)N[C@H](C)C2=CC=CC=C2Cl

DOS

IR

Vibrations