Geometry & MOs

Info

ID:

110669

PubChem CID:

50334932

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-234.3

Dipole, Da:

4.1

IP(EA), eV:

 -8.76(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)C)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations