Geometry & MOs

Info

ID:	62070
PubChem CID:	26717434
Reduced:	ClNOC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	343.978919
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	3.68
IP(EA), eV:	-9.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC(=O)N[C@@H](C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations