Geometry & MOs

Info

ID:

95954

PubChem CID:

50017264

Reduced:

F2O4N5C36H43 (1)

Stoich.:

A2B4C5D36E43 (1)

Weight, g/mol:

764.369761

ΔHf, kcal/mol:

-232.04

Dipole, Da:

8.97

IP(EA), eV:

 -9.07(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)F

DOS

IR

Vibrations