Geometry & MOs

Info

ID:	348252
PubChem CID:	127273317
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	8.35
IP(EA), eV:	-9.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolan-3-amine

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCOC2=CC=CC=C12)C3CCS(=O)(=O)C3

DOS

IR

Vibrations