Geometry & MOs

Info

ID:	192362
PubChem CID:	78261073
Reduced:	ON2S2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	471.20142
ΔH_f, kcal/mol:	9.37
Dipole, Da:	3.71
IP(EA), eV:	-8.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methylphenyl)-5-oxo-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3CCCCC3N4C2=C(SC4=S)C5=CC=CC(=C5)C

DOS

IR

Vibrations