Geometry & MOs

Info

ID:	44002
PubChem CID:	10322839
Reduced:	SN2O6C24H34 (1)
Stoich.:	AB2C6D24E34 (1)
Weight, g/mol:	478.283158
ΔH_f, kcal/mol:	-230.39
Dipole, Da:	6.64
IP(EA), eV:	-8.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[6-(2-ethylbutylcarbamoyl)-3-(2-methylpropyl)indol-1-yl]methyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)OCCCCCC(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

DOS

IR

Vibrations