Geometry & MOs

Info

ID:	117539
PubChem CID:	50606545
Reduced:	BrClO5N6C28H34 (1)
Stoich.:	ABC5D6E28F34 (1)
Weight, g/mol:	552.169496
ΔH_f, kcal/mol:	-203.15
Dipole, Da:	9.79
IP(EA), eV:	-9.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)Br

DOS

IR

Vibrations