Geometry & MOs

Info

ID:	135471
PubChem CID:	51876841
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	483.182792
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	7.22
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations