Geometry & MOs

Info

ID:	234854
PubChem CID:	92303608
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

DOS

IR

Vibrations