Geometry & MOs

Info

ID:	118242
PubChem CID:	50635740
Reduced:	Cl2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	561.19096
ΔH_f, kcal/mol:	-127.82
Dipole, Da:	6.41
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations