Geometry & MOs

Info

ID:	236471
PubChem CID:	92713327
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	401.202465
ΔH_f, kcal/mol:	-162.9
Dipole, Da:	3.86
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(1-adamantylsulfanyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)[C@H]2CC3=C(C=CC(=C3)OC)OC2)OC

DOS

IR

Vibrations