Geometry & MOs

Info

ID:

105423

PubChem CID:

50107176

Reduced:

N6O6C33H38 (1)

Stoich.:

A6B6C33D38 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-210.03

Dipole, Da:

3.85

IP(EA), eV:

 -8.63(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations