Geometry & MOs

Info

ID:	39359
PubChem CID:	8140477
Reduced:	N2O3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007365
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)OC

DOS

IR

Vibrations