Geometry & MOs

Info

ID:	195076
PubChem CID:	78630620
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	316.167946
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	3.68
IP(EA), eV:	-8.15(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(3-hydroxypropyl)azanium

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2)OC)COC

DOS

IR

Vibrations