Geometry & MOs

Info

ID:	422641
PubChem CID:	135118178
Reduced:	FN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	365.086784
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	3.58
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations