Geometry & MOs

Info

ID:	359607
PubChem CID:	127298881
Reduced:	SO3N6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	7.59
Dipole, Da:	7.41
IP(EA), eV:	-9.07(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)C3=CC4=C(C=C3)N5C(=NS4(=O)=O)N=CN5

DOS

IR

Vibrations