Geometry & MOs

Info

ID:

103935

PubChem CID:

50085887

Reduced:

FN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-231.21

Dipole, Da:

12.48

IP(EA), eV:

 -8.38(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations