Geometry & MOs

Info

ID:	78291
PubChem CID:	49684317
Reduced:	SO2N3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	3.23
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4,5-dimethyl-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CN3C)C)C

DOS

IR

Vibrations