Geometry & MOs

Info

ID:	212735
PubChem CID:	81061670
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	6.82
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=NC=C1)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations