Geometry & MOs

Info

ID:	425034
PubChem CID:	135124920
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	7.21
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=NC(=C(S3)C)CO)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations