Geometry & MOs

Info

ID:	418411
PubChem CID:	135104585
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	358.138485
ΔH_f, kcal/mol:	-224.21
Dipole, Da:	4.47
IP(EA), eV:	-10.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)S(=O)(=O)C2=CC(=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations