Geometry & MOs

Info

ID:	29047
PubChem CID:	831316
Reduced:	OSN2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	64.31
Dipole, Da:	3.01
IP(EA), eV:	-8.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NC2=NC3=C(S2)C=CC4=CC=CC=C43

DOS

IR

Vibrations