Geometry & MOs

Info

ID:	31172
PubChem CID:	854963
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	6.35
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C(OC2=CC1=O)C)C3=NC(=CS3)C)O

DOS

IR

Vibrations