Geometry & MOs

Info

ID:	47233
PubChem CID:	10530781
Reduced:	O3N4C34H42 (1)
Stoich.:	A3B4C34D42 (1)
Weight, g/mol:	554.046998
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	3.61
IP(EA), eV:	-9.16(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-bis(4-chlorophenyl)-2-[(4-nitrophenyl)sulfinylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)NC)N

DOS

IR

Vibrations