Geometry & MOs

Info

ID:	36768
PubChem CID:	8012421
Reduced:	ClSN2O4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	5.35
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCNC2=O

DOS

IR

Vibrations