Geometry & MOs

Info

ID:	425035
PubChem CID:	135124922
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	1.51
IP(EA), eV:	-9.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethyltriazol-4-yl)-3-[4-(hydroxymethyl)-5-methylthiophen-2-yl]-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CC[C@@H](C2=CC(=C(S2)C)CO)C(C)(C)C(=O)O

DOS

IR

Vibrations