Geometry & MOs

Info

ID:

110980

PubChem CID:

50347079

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-221.54

Dipole, Da:

5.62

IP(EA), eV:

 -8.81(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)OC

DOS

IR

Vibrations