Geometry & MOs

Info

ID:	134912
PubChem CID:	51781698
Reduced:	N2F3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	511.141321
ΔH_f, kcal/mol:	-286.49
Dipole, Da:	7.63
IP(EA), eV:	-9.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CN([C@@H](C1=CC=C(C=C1)C(F)(F)F)C(=O)NC2CCCCC2)C(=O)COC

DOS

IR

Vibrations