Geometry & MOs

Info

ID:	423372
PubChem CID:	135119389
Reduced:	O2F3N4H15C16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-168.87
Dipole, Da:	5.46
IP(EA), eV:	-9.88(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CN=C(C=C2)C(F)(F)F)O)CC3=NC=CN=C3

DOS

IR

Vibrations