Geometry & MOs

Info

ID:	32861
PubChem CID:	7848977
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	3.94
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)C#N)O

DOS

IR

Vibrations