Geometry & MOs

Info

ID:	420905
PubChem CID:	135115022
Reduced:	FNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	360.13192
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	5.68
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=C(C=CC(=C3F)F)OC

DOS

IR

Vibrations