Geometry & MOs

Info

ID:	192414
PubChem CID:	78267114
Reduced:	SN3O4H23C27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	296.202582
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclohexyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1C(=O)N(C=N2)NC3=CC(C(=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O)C

DOS

IR

Vibrations