Geometry & MOs

Info

ID:	445293
PubChem CID:	135265899
Reduced:	OSN3F9C26H30 (1)
Stoich.:	ABC3D9E26F30 (1)
Weight, g/mol:	286.095141
ΔH_f, kcal/mol:	-458.75
Dipole, Da:	5.55
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]-1,3-thiazol-2-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CCCN1C(=C)C2C(SC(=N2)C(=C)NCC(C)C)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)C(F)F

DOS

IR

Vibrations