Geometry & MOs

Info

ID:

100411

PubChem CID:

50061110

Reduced:

F3O5N6C36H41 (1)

Stoich.:

A3B5C6D36E41 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-317.04

Dipole, Da:

4.15

IP(EA), eV:

 -8.71(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations