Geometry & MOs

Info

ID:	133605
PubChem CID:	51561468
Reduced:	ClSN3O5H9C15 (1)
Stoich.:	ABC3D5E9F15 (1)
Weight, g/mol:	378.111024
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	7.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048496
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-6-nitrophenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)[O-]

DOS

IR

Vibrations