Geometry & MOs

Info

ID:

102135

PubChem CID:

50065415

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-262.82

Dipole, Da:

5.92

IP(EA), eV:

 -8.29(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)OC

DOS

IR

Vibrations