Geometry & MOs

Info

ID:

114286

PubChem CID:

50477631

Reduced:

FO3N4C33H39 (1)

Stoich.:

AB3C4D33E39 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-145.27

Dipole, Da:

5.61

IP(EA), eV:

 -8.78(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations