Geometry & MOs

Info

ID:	78292
PubChem CID:	49684320
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	5.65
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations