Geometry & MOs

Info

ID:	195493
PubChem CID:	78694921
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	392.164402
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	4.67
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2)OC

DOS

IR

Vibrations