Geometry & MOs

Info

ID:	175214
PubChem CID:	75868056
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	454.216438
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	3.04
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[1-(3-methoxyphenyl)-2-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)C=CC1=CC(=C(C=C1)OCC(=O)N)OC)C2=CC(=CC=C2)OC

DOS

IR

Vibrations