Geometry & MOs

Info

ID:	31195
PubChem CID:	855092
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	307.054611
ΔH_f, kcal/mol:	15.61
Dipole, Da:	6.1
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations