Geometry & MOs

Info

ID:

108213

PubChem CID:

50235754

Reduced:

O5N6C40H44 (1)

Stoich.:

A5B6C40D44 (1)

Weight, g/mol:

674.321668

ΔHf, kcal/mol:

-155.3

Dipole, Da:

12.53

IP(EA), eV:

 -8.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations