Geometry & MOs

Info

ID:	32899
PubChem CID:	7849291
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	4.46
IP(EA), eV:	-9.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations