Geometry & MOs

Info

ID:

99729

PubChem CID:

50054711

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-170.63

Dipole, Da:

2.26

IP(EA), eV:

 -8.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations