Geometry & MOs

Info

ID:	49245
PubChem CID:	11532263
Reduced:	OSN4H24C26 (1)
Stoich.:	ABC4D24E26 (1)
Weight, g/mol:	440.045837
ΔH_f, kcal/mol:	96.75
Dipole, Da:	6.03
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-nitrophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3=C(N=CC(=C3)OCC(CC4=CC=CC=C4)N)C5=CC=CS5

DOS

IR

Vibrations