Geometry & MOs

Info

ID:	195340
PubChem CID:	78675541
Reduced:	NO2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.211248
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CCCCC[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(C)O

DOS

IR

Vibrations