Geometry & MOs

Info

ID:	245516
PubChem CID:	99453651
Reduced:	FN2O6H17C22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	477.09139
ΔH_f, kcal/mol:	-166.43
Dipole, Da:	3.01
IP(EA), eV:	-9.12(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations