Geometry & MOs

Info

ID:	192363
PubChem CID:	78261074
Reduced:	O2S2N3C25H33 (1)
Stoich.:	A2B2C3D25E33 (1)
Weight, g/mol:	434.148656
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	7.26
IP(EA), eV:	-8.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-4-[(2-methylphenyl)methyl]-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-[1,3]thiazolo[3,4-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CN1C(=O)C2CCCCC2N3C1=C(SC3=S)C4=CC=CC(=C4)C

DOS

IR

Vibrations