Geometry & MOs

Info

ID:

94963

PubChem CID:

50005341

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-180.04

Dipole, Da:

3.09

IP(EA), eV:

 -8.95(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations