Geometry & MOs

Info

ID:	147702
PubChem CID:	53787359
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	594.228739
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	3.46
IP(EA), eV:	-8.21(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-[6-(4-methoxyphenyl)hex-5-enoxy]phenyl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2CC(C3C(C2O)OC(O3)(C)C)N4C(=CC=C4C)C)C

DOS

IR

Vibrations