Geometry & MOs

Info

ID:

95948

PubChem CID:

50017186

Reduced:

FN4O4C32H37 (1)

Stoich.:

AB4C4D32E37 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-170.91

Dipole, Da:

7.42

IP(EA), eV:

 -8.37(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations