Geometry & MOs

Info

ID:	42248
PubChem CID:	8149353
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	3.47
Dipole, Da:	1.6
IP(EA), eV:	-8.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NCC4=CN=CC=C4

DOS

IR

Vibrations