Geometry & MOs

Info

ID:

105038

PubChem CID:

50106200

Reduced:

FN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

678.297739

ΔHf, kcal/mol:

-309.18

Dipole, Da:

6.18

IP(EA), eV:

 -8.22(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations