Geometry & MOs

Info

ID:	112236
PubChem CID:	50399467
Reduced:	ClO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	634.271525
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	6.72
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C)C(=O)NC

DOS

IR

Vibrations