Geometry & MOs

Info

ID:	425013
PubChem CID:	135124865
Reduced:	ClN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	507.219178
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	2.27
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CON1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)Cl

DOS

IR

Vibrations