Geometry & MOs

Info

ID:	146125
PubChem CID:	53639780
Reduced:	O6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-211.22
Dipole, Da:	7.75
IP(EA), eV:	-9.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexyl-2-oxopent-3-enyl)-4-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CC=CC(=O)O)C(=O)CO

DOS

IR

Vibrations