Geometry & MOs

Info

ID:	415797
PubChem CID:	135088798
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	6.04
IP(EA), eV:	-9.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(COC)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

DOS

IR

Vibrations