Geometry & MOs

Info

ID:	149021
PubChem CID:	53788692
Reduced:	O3C27H38 (1)
Stoich.:	A3B27C38 (1)
Weight, g/mol:	552.1116
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	4.83
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[3-[[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CC)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC

DOS

IR

Vibrations