Geometry & MOs

Info

ID:	302353
PubChem CID:	124361368
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-169.05
Dipole, Da:	3.64
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations