Geometry & MOs

Info

ID:

99240

PubChem CID:

50049271

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-254.8

Dipole, Da:

5.48

IP(EA), eV:

 -9.23(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations