Geometry & MOs

Info

ID:	151476
PubChem CID:	53812480
Reduced:	ClS2N3O3H10C14 (1)
Stoich.:	AB2C3D3E10F14 (1)
Weight, g/mol:	243.056529
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	6.84
IP(EA), eV:	-9.33(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfonylethylcarbamic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C=CC2=C(C(=O)N3C(=CSC3=N2)CC(=O)O)Cl

DOS

IR

Vibrations