Geometry & MOs

Info

ID:	419065
PubChem CID:	135107414
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	358.138485
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	3.23
IP(EA), eV:	-9.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)F

DOS

IR

Vibrations