Geometry & MOs

Info

ID:	195158
PubChem CID:	78645555
Reduced:	ClN2O4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	2.94
IP(EA), eV:	-9.58(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C(C#N)C(=N)C

DOS

IR

Vibrations