Geometry & MOs

Info

ID:

109472

PubChem CID:

50285930

Reduced:

FN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-285.7

Dipole, Da:

11.85

IP(EA), eV:

 -8.8(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-benzamido-3-methylanilino)-2-oxoethyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)OC)C)F

DOS

IR

Vibrations