Geometry & MOs

Info

ID:	39009
PubChem CID:	8138343
Reduced:	ClOSN5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	51.68
Dipole, Da:	7.22
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetyl-5-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]furan-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations