Geometry & MOs

Info

ID:

100236

PubChem CID:

50059348

Reduced:

F2O4N5C35H41 (1)

Stoich.:

A2B4C5D35E41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-237.85

Dipole, Da:

7.49

IP(EA), eV:

 -8.58(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C)C

DOS

IR

Vibrations