Geometry & MOs

Info

ID:	302395
PubChem CID:	124361571
Reduced:	NSO6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	467.140259
ΔH_f, kcal/mol:	-220.25
Dipole, Da:	8.59
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@H](CSC)C(=O)O

DOS

IR

Vibrations