Geometry & MOs

Info

ID:	405162
PubChem CID:	135072801
Reduced:	ClO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	399.150429
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	6.54
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methylsulfonyl(1-phenyloct-6-yn-3-yl)amino] benzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CC3=CC=C(C=C3)Cl)C(=CC=C2)C(=O)O

DOS

IR

Vibrations