Geometry & MOs

Info

ID:	62547
PubChem CID:	26719857
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	378.080491
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	3.72
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)CCC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations