Geometry & MOs

Info

ID:	61797
PubChem CID:	26713228
Reduced:	ClN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	4.15
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations