Geometry & MOs

Info

ID:	78288
PubChem CID:	49684291
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	5.38
IP(EA), eV:	-8.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-4-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CC=CN3C

DOS

IR

Vibrations