Geometry & MOs

Info

ID:	37983
PubChem CID:	8026234
Reduced:	ON2S2F3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	-161.45
Dipole, Da:	2.83
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=CC=C3C(F)(F)F)C

DOS

IR

Vibrations