Geometry & MOs

Info

ID:

114247

PubChem CID:

50475178

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-225.41

Dipole, Da:

5.88

IP(EA), eV:

 -9.17(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations