Geometry & MOs

Info

ID:	32904
PubChem CID:	7849327
Reduced:	FSN2O6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-259.2
Dipole, Da:	4.17
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-cyanoethylsulfanyl)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations