Geometry & MOs

Info

ID:	302350
PubChem CID:	124361362
Reduced:	NO6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	437.147452
ΔH_f, kcal/mol:	-256.15
Dipole, Da:	7.44
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1O[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)OC)OC(=O)C=C2C

DOS

IR

Vibrations