Geometry & MOs

Info

ID:	27451
PubChem CID:	821410
Reduced:	NOSC9H17 (1)
Stoich.:	ABCD9E17 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	2.01
IP(EA), eV:	-8.77(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-8a-hydroxyspiro[3,4a,5,6,7,8-hexahydro-1H-quinazoline-4,1'-cyclohexane]-2-thione

Drug info:

PubChemData

Smile

CCSC1=NC(C[C@H](O1)C)(C)C

DOS

IR

Vibrations