Geometry & MOs

Info

ID:	243066
PubChem CID:	99215363
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	475.074859
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	4.08
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-5-methoxy-2-[[4-(3-methoxy-3-oxopropoxy)phenyl]sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@H]3CCCCN3S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

DOS

IR

Vibrations