Geometry & MOs

Info

ID:	419360
PubChem CID:	135108036
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-138.44
Dipole, Da:	6.7
IP(EA), eV:	-9.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)O

DOS

IR

Vibrations