Geometry & MOs

Info

ID:	55349
PubChem CID:	17395271
Reduced:	O2S2N3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	484.160283
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	6.88
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCNC1=NN=C(S1)SC2CCOC2=O

DOS

IR

Vibrations