Geometry & MOs

Info

ID:	32878
PubChem CID:	7849072
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	3.21
IP(EA), eV:	-8.94(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-hydroxypropyl]-2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC/C=C/C3=CC=CC=C3)O

DOS

IR

Vibrations