Geometry & MOs

Info

ID:

113437

PubChem CID:

50445622

Reduced:

F3N6O6H37C38 (1)

Stoich.:

A3B6C6D37E38 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-302.12

Dipole, Da:

10.32

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations