Geometry & MOs

Info

ID:

113873

PubChem CID:

50462347

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-188.29

Dipole, Da:

3.41

IP(EA), eV:

 -8.71(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C)C

DOS

IR

Vibrations