Geometry & MOs

Info

ID:

103787

PubChem CID:

50073125

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-189.74

Dipole, Da:

11.59

IP(EA), eV:

 -8.38(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations