Geometry & MOs

Info

ID:	424824
PubChem CID:	135124076
Reduced:	FNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)OC5CCOC5

DOS

IR

Vibrations