Geometry & MOs

Info

ID:

111890

PubChem CID:

50385271

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-230.45

Dipole, Da:

6.6

IP(EA), eV:

 -9.01(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations