Geometry & MOs

Info

ID:	120042
PubChem CID:	50712068
Reduced:	ClO3N4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	576.15028
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	4.67
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations