Geometry & MOs

Info

ID:	133448
PubChem CID:	51529249
Reduced:	ClO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	375.065952
ΔH_f, kcal/mol:	1.66
Dipole, Da:	3.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908243
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-8-(1,3-dithiolan-2-ylidene)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-quinazoline-2-thiolate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O/[NH+]=C(/C2=CC=NC=C2)\N)Cl

DOS

IR

Vibrations