Geometry & MOs

Info

ID:

113148

PubChem CID:

50432742

Reduced:

F3O5N6C38H43 (1)

Stoich.:

A3B5C6D38E43 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-321.99

Dipole, Da:

4.37

IP(EA), eV:

 -8.76(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations