Geometry & MOs

Info

ID:	424814
PubChem CID:	135124045
Reduced:	SO4N5C33H35 (1)
Stoich.:	AB4C5D33E35 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	9.32
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-7-methoxy-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NC4=CN=CC=C4)C5=C(C=C(C=C5)C#N)C)C

DOS

IR

Vibrations