Geometry & MOs

Info

ID:

95956

PubChem CID:

50017352

Reduced:

FN5O5C38H46 (1)

Stoich.:

AB5C5D38E46 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-219.46

Dipole, Da:

3.83

IP(EA), eV:

 -8.86(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations