Geometry & MOs

Info

ID:	436173
PubChem CID:	135194316
Reduced:	ClFSN4O7C29H36 (1)
Stoich.:	ABCD4E7F29G36 (1)
Weight, g/mol:	320.213364
ΔH_f, kcal/mol:	-275.8
Dipole, Da:	8.16
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,4,4-trimethyl-N-(2-methylsulfonylethyl)-5-[(Z)-propylideneamino]oxyhexan-1-amine

Drug info:

PubChemData

Smile

CCCCCSC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COC(CC4=CC=CC=C4)(C(=O)OCC)C(=O)OCC)O)F)Cl

DOS

IR

Vibrations