Geometry & MOs

Info

ID:

95649

PubChem CID:

50011218

Reduced:

O5N6C28H36 (1)

Stoich.:

A5B6C28D36 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-196.14

Dipole, Da:

5.46

IP(EA), eV:

 -8.88(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations