Geometry & MOs

Info

ID:

94226

PubChem CID:

49999139

Reduced:

Cl2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-183.7

Dipole, Da:

6.52

IP(EA), eV:

 -8.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations