Geometry & MOs

Info

ID:	38957
PubChem CID:	8138238
Reduced:	FN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	400.130422
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	3.36
IP(EA), eV:	-8.34(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations