Geometry & MOs

Info

ID:

116335

PubChem CID:

50556969

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-192.32

Dipole, Da:

9.83

IP(EA), eV:

 -8.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations