Geometry & MOs

Info

ID:	28552
PubChem CID:	828316
Reduced:	SN2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	306.064057
ΔH_f, kcal/mol:	68.56
Dipole, Da:	5.02
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N=C3CCCC4=CC=CC=C43)C#N

DOS

IR

Vibrations