Geometry & MOs

Info

ID:	118898
PubChem CID:	50663369
Reduced:	ClO4N5C34H38 (1)
Stoich.:	AB4C5D34E38 (1)
Weight, g/mol:	603.12479
ΔH_f, kcal/mol:	-139.53
Dipole, Da:	5.66
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations