Geometry & MOs

Info

ID:	243720
PubChem CID:	99234314
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	457.047475
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	5.66
IP(EA), eV:	-9.17(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-7-chloro-1-oxo-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=N1)CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations