Geometry & MOs

Info

ID:	134267
PubChem CID:	51671342
Reduced:	SN2O3C27H40 (1)
Stoich.:	AB2C3D27E40 (1)
Weight, g/mol:	224.165054
ΔH_f, kcal/mol:	-178.92
Dipole, Da:	4.97
IP(EA), eV:	-8.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-ethoxy-4-propan-2-yloxyphenyl)methyl-methylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@H](C)N[C@H](C)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations