Geometry & MOs

Info

ID:	169389
PubChem CID:	75098296
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	305.075346
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	7.48
IP(EA), eV:	-8.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-5-(3-chlorophenyl)triazolidine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=CC=CC=C2C=C1O.C1=CC(=O)C(=CN)C=C1Cl

DOS

IR

Vibrations