Geometry & MOs

Info

ID:	32386
PubChem CID:	7743815
Reduced:	ON2S3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	404.075216
ΔH_f, kcal/mol:	28.43
Dipole, Da:	3.37
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N=C1SCC(=C)C)SC=C2C3=CC=CS3

DOS

IR

Vibrations