Geometry & MOs

Info

ID:	420124
PubChem CID:	135111298
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	360.13192
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	5.87
IP(EA), eV:	-9.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC2=C1NN=C2C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations