Geometry & MOs

Info

ID:	67831
PubChem CID:	46507258
Reduced:	SO2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	498.112854
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	2.21
IP(EA), eV:	-8.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=C(C(=CN2C)C3=CC=CC=C3)N=C1SCC4=CC=C(C=C4)C

DOS

IR

Vibrations