Geometry & MOs

Info

ID:	116354
PubChem CID:	50557565
Reduced:	BrClO4N5C28H35 (1)
Stoich.:	ABC4D5E28F35 (1)
Weight, g/mol:	561.19096
ΔH_f, kcal/mol:	-165.5
Dipole, Da:	3.53
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C)Cl

DOS

IR

Vibrations