Geometry & MOs

Info

ID:

114619

PubChem CID:

50490232

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-324.52

Dipole, Da:

7.26

IP(EA), eV:

 -9.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorophenyl)carbamoyl]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)NC4=CC(=C(C=C4)F)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations