Geometry & MOs

Info

ID:	37414
PubChem CID:	8020794
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	391.087829
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	3.18
IP(EA), eV:	-9.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]-7-ethylchromen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)[C@@H]3C[C@@H]3C)C

DOS

IR

Vibrations