Geometry & MOs

Info

ID:	172726
PubChem CID:	75544616
Reduced:	S2N3O6C23H29 (1)
Stoich.:	A2B3C6D23E29 (1)
Weight, g/mol:	463.123563
ΔH_f, kcal/mol:	-197.04
Dipole, Da:	3.94
IP(EA), eV:	-8.22(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)N3C(=C(SC3=S)C(=O)NCCC4=CC(=C(C=C4)OC)OC)NC2=O

DOS

IR

Vibrations