Geometry & MOs

Info

ID:	64043
PubChem CID:	26759747
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	465.076134
ΔH_f, kcal/mol:	-201.58
Dipole, Da:	5.36
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-3-nitrophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NCC1=CC=CO1)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations