Geometry & MOs

Info

ID:	38403
PubChem CID:	8035104
Reduced:	SN2O4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	328.069536
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	4.36
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC4=NC=CS4

DOS

IR

Vibrations