Geometry & MOs

Info

ID:	13396
PubChem CID:	228794
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-67.47
Dipole, Da:	6.95
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carbothioate

Drug info:

PubChemData

Smile

CCSC(=O)C1CCC2=C(C1)C(=O)N=C(N2)N

DOS

IR

Vibrations