Geometry & MOs

Info

ID:	217686
PubChem CID:	85088220
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	389.119798
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	1.54
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCON(C1C2=CC=CS2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations