Geometry & MOs

Info

ID:	124685
PubChem CID:	50892338
Reduced:	FNSO4C20H24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	410.070321
ΔH_f, kcal/mol:	-199.46
Dipole, Da:	3.62
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,6-trimethyl-N-(2-nitrophenyl)sulfonylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N(CC(=O)OC(C)C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations