Geometry & MOs

Info

ID:	343880
PubChem CID:	127267056
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	7.96
IP(EA), eV:	-9.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(4-propylphenyl)ethyl]triazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=NO3)C

DOS

IR

Vibrations