Geometry & MOs

Info

ID:	28542
PubChem CID:	828259
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	16.79
Dipole, Da:	3.91
IP(EA), eV:	-8.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C2(C)C

DOS

IR

Vibrations