Geometry & MOs

Info

ID:	131636
PubChem CID:	51236848
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	5.53
IP(EA), eV:	-8.67(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-[[5-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC(=O)NC(C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations