Geometry & MOs

Info

ID:

114588

PubChem CID:

50489393

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-206.15

Dipole, Da:

4.49

IP(EA), eV:

 -8.74(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC)C

DOS

IR

Vibrations