Geometry & MOs

Info

ID:	29227
PubChem CID:	832446
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	341.099811
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	4.31
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC(=O)NN=CC2=CC=CS2)C

DOS

IR

Vibrations