Geometry & MOs

Info

ID:

97167

PubChem CID:

50028305

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-157.57

Dipole, Da:

9.34

IP(EA), eV:

 -8.56(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations