Geometry & MOs

Info

ID:	32881
PubChem CID:	7849088
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-141.05
Dipole, Da:	4.3
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethylsulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC)O

DOS

IR

Vibrations