Geometry & MOs

Info

ID:	175457
PubChem CID:	75908167
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	449.258637
ΔH_f, kcal/mol:	-184.83
Dipole, Da:	4.74
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[1-(3-methoxyphenyl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C1CCCN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations