Geometry & MOs

Info

ID:	23069
PubChem CID:	601528
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	4.34
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)OCC(=O)OC

DOS

IR

Vibrations