Geometry & MOs

Info

ID:	137428
PubChem CID:	52207090
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	347.125649
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	5.76
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2-oxopyrrolidin-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N[C@@H](C)C2=CC=CC=C2OC

DOS

IR

Vibrations