Geometry & MOs

Info

ID:	195287
PubChem CID:	78669693
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	296.076553
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	5.17
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C4=CC=CC=C43)OC

DOS

IR

Vibrations