Geometry & MOs

Info

ID:	193949
PubChem CID:	78459497
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	413.185866
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	8.32
IP(EA), eV:	-9.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-[[2-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

CC1(CC2=NC3=C(C(C2C(=O)C1)C4=CC=C(S4)[N+](=O)[O-])C(=O)CC(C3)(C)C)C

DOS

IR

Vibrations