Geometry & MOs

Info

ID:

99213

PubChem CID:

50049128

Reduced:

F2O4N5C35H41 (1)

Stoich.:

A2B4C5D35E41 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-224.86

Dipole, Da:

7.16

IP(EA), eV:

 -9.12(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations