Geometry & MOs

Info

ID:	302371
PubChem CID:	124361458
Reduced:	NO6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	365.093309
ΔH_f, kcal/mol:	-277.9
Dipole, Da:	1.78
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations