Geometry & MOs

Info

ID:	417446
PubChem CID:	135094477
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-123.07
Dipole, Da:	5.24
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]sulfonyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=NC=CS3)O

DOS

IR

Vibrations