Geometry & MOs

Info

ID:	234510
PubChem CID:	92298580
Reduced:	NO2S2H7C12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	389.111067
ΔH_f, kcal/mol:	18.64
Dipole, Da:	6.12
IP(EA), eV:	-9.32(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC=C(S2)/C=C(/C#N)\C(=O)O

DOS

IR

Vibrations