Geometry & MOs

Info

ID:

101589

PubChem CID:

50064860

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-207.24

Dipole, Da:

8.17

IP(EA), eV:

 -8.71(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations