Geometry & MOs

Info

ID:

109228

PubChem CID:

50277740

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

716.368619

ΔHf, kcal/mol:

-165.1

Dipole, Da:

8.7

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)C)C

DOS

IR

Vibrations