Geometry & MOs

Info

ID:

109768

PubChem CID:

50296463

Reduced:

N4O5C31H36 (1)

Stoich.:

A4B5C31D36 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-155.53

Dipole, Da:

6.99

IP(EA), eV:

 -8.56(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations