Geometry & MOs

Info

ID:	58875
PubChem CID:	24715012
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	341.16608
ΔH_f, kcal/mol:	11.93
Dipole, Da:	4.16
IP(EA), eV:	-8.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC(=C)CN1C(=CC2=C1SC=C2)C(=O)N3CCCC3

DOS

IR

Vibrations