Geometry & MOs

Info

ID:	32880
PubChem CID:	7849083
Reduced:	FNSO6C18H18 (1)
Stoich.:	ABCD6E18F18 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-245.16
Dipole, Da:	5.0
IP(EA), eV:	-9.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-hydroxypropyl]-2-methylsulfanyl-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC1=CC(=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations