Geometry & MOs

Info

ID:

104963

PubChem CID:

50106060

Reduced:

N5O6C29H39 (1)

Stoich.:

A5B6C29D39 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-219.07

Dipole, Da:

9.43

IP(EA), eV:

 -8.74(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-methylanilino)-3-oxopropyl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations