Geometry & MOs

Info

ID:

108633

PubChem CID:

50252208

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

645.172116

ΔHf, kcal/mol:

-123.9

Dipole, Da:

6.83

IP(EA), eV:

 -8.46(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,3-dichloroanilino)-3-oxopropyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations