Geometry & MOs

Info

ID:

109416

PubChem CID:

50283504

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-174.13

Dipole, Da:

6.76

IP(EA), eV:

 -8.47(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N(C)C)C

DOS

IR

Vibrations