Geometry & MOs

Info

ID:	222741
PubChem CID:	85332260
Reduced:	BrN2O3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	503.209007
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	26.08
IP(EA), eV:	-6.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-[2-[[2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethyl]amino]ethoxy]-2-methyl-1H-indol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)CCOC4=CC=CC=C4.[Br-]

DOS

IR

Vibrations