Geometry & MOs

Info

ID:	32900
PubChem CID:	7849292
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	5.86
IP(EA), eV:	-8.87(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-prop-2-enylsulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@@H]3CCCO3

DOS

IR

Vibrations