Geometry & MOs

Info

ID:	29007
PubChem CID:	831098
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	253.993218
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	5.55
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=NNC(=O)COC2=CC=CC=C2C)C

DOS

IR

Vibrations