Geometry & MOs

Info

ID:

107771

PubChem CID:

50218394

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-210.03

Dipole, Da:

10.1

IP(EA), eV:

 -8.44(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations