Geometry & MOs

Info

ID:	60492
PubChem CID:	26697090
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	402.148752
ΔH_f, kcal/mol:	25.56
Dipole, Da:	6.6
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations