Geometry & MOs

Info

ID:	353289
PubChem CID:	127284469
Reduced:	SN3O4C13H23 (1)
Stoich.:	AB3C4D13E23 (1)
Weight, g/mol:	331.077282
ΔH_f, kcal/mol:	-198.31
Dipole, Da:	6.52
IP(EA), eV:	-9.97(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations