Geometry & MOs

Info

ID:

105496

PubChem CID:

50111074

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-153.53

Dipole, Da:

3.49

IP(EA), eV:

 -8.71(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations