Geometry & MOs

Info

ID:

104196

PubChem CID:

50096574

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-257.48

Dipole, Da:

5.7

IP(EA), eV:

 -8.85(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F

DOS

IR

Vibrations