Geometry & MOs

Info

ID:	63313
PubChem CID:	26750583
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	426.116877
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	9.08
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-[2-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations