Geometry & MOs

Info

ID:	414522
PubChem CID:	135087481
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-148.94
Dipole, Da:	6.17
IP(EA), eV:	-9.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations