Geometry & MOs

Info

ID:	117779
PubChem CID:	50615509
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	645.195439
ΔH_f, kcal/mol:	-156.12
Dipole, Da:	4.7
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2,6-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations