Geometry & MOs

Info

ID:	417729
PubChem CID:	135102617
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	370.138485
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	5.16
IP(EA), eV:	-8.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-(4-methylsulfanylphenyl)sulfonyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4)OC

DOS

IR

Vibrations