Geometry & MOs

Info

ID:	54343
PubChem CID:	17050061
Reduced:	SO3N6H12C17 (1)
Stoich.:	AB3C6D12E17 (1)
Weight, g/mol:	515.003869
ΔH_f, kcal/mol:	102.73
Dipole, Da:	4.51
IP(EA), eV:	-9.73(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN4C=NN=C4S3)[N+](=O)[O-]

DOS

IR

Vibrations