Geometry & MOs

Info

ID:

93987

PubChem CID:

49997931

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-230.19

Dipole, Da:

11.17

IP(EA), eV:

 -8.82(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F

DOS

IR

Vibrations