Geometry & MOs

Info

ID:	230201
PubChem CID:	87570410
Reduced:	ClN2S2O4H19C22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	5.74
IP(EA), eV:	-9.14(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-2-yl)-2-(3-tert-butyl-4-hydroxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCN1C(COC1=O)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)/C=C\4/C(=O)NC(=S)S4)Cl

DOS

IR

Vibrations