Geometry & MOs

Info

ID:	117146
PubChem CID:	50592943
Reduced:	ClFO4N5C30H31 (1)
Stoich.:	ABC4D5E30F31 (1)
Weight, g/mol:	581.15966
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	6.44
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC)F

DOS

IR

Vibrations