Geometry & MOs

Info

ID:	179517
PubChem CID:	76492518
Reduced:	O6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	545.183186
ΔH_f, kcal/mol:	-261.39
Dipole, Da:	3.02
IP(EA), eV:	-9.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[3-(benzenesulfonyl)-2,5-dihydro-1,2-oxazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2(C(OC(C(C2O)O)O)CO)O

DOS

IR

Vibrations