Geometry & MOs

Info

ID:

97509

PubChem CID:

50032225

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

690.316583

ΔHf, kcal/mol:

-152.2

Dipole, Da:

12.78

IP(EA), eV:

 -8.56(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]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)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations