Geometry & MOs

Info

ID:	119991
PubChem CID:	50710384
Reduced:	ClFO4N5C29H29 (1)
Stoich.:	ABC4D5E29F29 (1)
Weight, g/mol:	561.19096
ΔH_f, kcal/mol:	-158.99
Dipole, Da:	5.34
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations