Geometry & MOs

Info

ID:	116429
PubChem CID:	50560086
Reduced:	Cl2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	10.03
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methylphenyl)-1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations