Geometry & MOs

Info

ID:	396490
PubChem CID:	135028577
Reduced:	NO4H17C23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	326.06128
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	7.71
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-methoxycarbonyl-2-[2-(2-thiophen-2-ylethynyl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@]1(C[C@H]1C2=CC=CC=C2C#CC3=CC4=CC=CC=C4N=C3)C(=O)O

DOS

IR

Vibrations