Geometry & MOs

Info

ID:	175159
PubChem CID:	75862568
Reduced:	SO2N3C20H32 (1)
Stoich.:	AB2C3D20E32 (1)
Weight, g/mol:	454.237567
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	14.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903295
Charge, e:	1

Chem-info

IUPAC name:

2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2CCCN(C2)C(=O)C(C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations