Geometry & MOs

Info

ID:	86155
PubChem CID:	49882202
Reduced:	OS2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	361.037726
ΔH_f, kcal/mol:	9.68
Dipole, Da:	1.46
IP(EA), eV:	-8.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)SC1=NN=C(N1C)CSC2=CC=CC=C2

DOS

IR

Vibrations