Geometry & MOs

Info

ID:	328420
PubChem CID:	126722974
Reduced:	BrFNSO2C23H31 (1)
Stoich.:	ABCDE2F23G31 (1)
Weight, g/mol:	650.310435
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	6.32
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[2-[[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)Br)CF

DOS

IR

Vibrations