Geometry & MOs

Info

ID:	419938
PubChem CID:	135109896
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	377.213698
ΔH_f, kcal/mol:	-193.24
Dipole, Da:	4.04
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)NC2CC(=O)N(C2)CCOC)S(=O)(=O)C

DOS

IR

Vibrations