Geometry & MOs

Info

ID:

109265

PubChem CID:

50278841

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-160.58

Dipole, Da:

3.92

IP(EA), eV:

 -8.66(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations