Geometry & MOs

Info

ID:	345078
PubChem CID:	127268838
Reduced:	NS2O5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	9.53
IP(EA), eV:	-9.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CCN(CC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations