Geometry & MOs

Info

ID:	148234
PubChem CID:	53787896
Reduced:	ClN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	406.148849
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	6.01
IP(EA), eV:	-8.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[dimethylamino-(4-nitrobenzoyl)amino]-3-methyl-2,5-dioxopyrrolidin-1-yl]acetate

Drug info:

PubChemData

Smile

CCC1=C(N=CC(=C1)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations