Geometry & MOs

Info

ID:	38249
PubChem CID:	8028474
Reduced:	NSO6H14C18 (1)
Stoich.:	ABC6D14E18 (1)
Weight, g/mol:	387.08735
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	8.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.890262
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NCCC(=O)[O-]

DOS

IR

Vibrations