Geometry & MOs

Info

ID:	118798
PubChem CID:	50659385
Reduced:	ClO3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	637.14667
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	6.11
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations