Geometry & MOs

Info

ID:	142001
PubChem CID:	52966359
Reduced:	F2S2N3O4C20H25 (1)
Stoich.:	A2B2C3D4E20F25 (1)
Weight, g/mol:	457.13054
ΔH_f, kcal/mol:	-230.59
Dipole, Da:	7.74
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-4,6-difluoro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCN1C2C(CC(CC2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F)F

DOS

IR

Vibrations