Geometry & MOs

Info

ID:	36674
PubChem CID:	8010797
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	2.81
IP(EA), eV:	-8.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

CCN(C[C@H]1COC2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations