Geometry & MOs

Info

ID:	438581
PubChem CID:	135228325
Reduced:	SN2O4C18H34 (1)
Stoich.:	AB2C4D18E34 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-221.6
Dipole, Da:	5.05
IP(EA), eV:	-8.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-acetyl-4-(5-propoxypentylamino)naphthalen-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1[C@H](C2(CCN(CC2)C(=O)OC(C)(C)C)CO1)NS(=O)C(C)(C)C

DOS

IR

Vibrations