Geometry & MOs

Info

ID:

98391

PubChem CID:

50043429

Reduced:

O4N5C35H41 (1)

Stoich.:

A4B5C35D41 (1)

Weight, g/mol:

724.295152

ΔHf, kcal/mol:

-135.62

Dipole, Da:

8.5

IP(EA), eV:

 -8.66(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations