Geometry & MOs

Info

ID:

108212

PubChem CID:

50235753

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

688.337319

ΔHf, kcal/mol:

-149.37

Dipole, Da:

8.31

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations