Geometry & MOs

Info

ID:	42921
PubChem CID:	10317149
Reduced:	ClOS2N3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	371.186336
ΔH_f, kcal/mol:	75.02
Dipole, Da:	3.18
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] butanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=CC4=C(C=C3)N=CS4)/S2)Cl

DOS

IR

Vibrations