Geometry & MOs

Info

ID:	216422
PubChem CID:	85086214
Reduced:	SCl2N2O2C7H8 (1)
Stoich.:	AB2C2D2E7F8 (1)
Weight, g/mol:	267.046633
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	5.58
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-2-yl-10aH-pyrazolo[1,5-c]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1S(=O)(=O)N)Cl)N)Cl

DOS

IR

Vibrations