Geometry & MOs

Info

ID:	33138
PubChem CID:	7885107
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-189.84
Dipole, Da:	7.01
IP(EA), eV:	-9.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations