Geometry & MOs

Info

ID:	196001
PubChem CID:	78764027
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	1.36
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

DOS

IR

Vibrations