Geometry & MOs

Info

ID:

108700

PubChem CID:

50255011

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-192.59

Dipole, Da:

8.45

IP(EA), eV:

 -8.6(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations