Geometry & MOs

Info

ID:	139371
PubChem CID:	52518948
Reduced:	S2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	386.097466
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	6.17
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-[(2-fluorophenyl)carbamoyl]-3-(3-methoxypropyl)-2-sulfanylidenequinazolin-4-olate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C

DOS

IR

Vibrations