Geometry & MOs

Info

ID:	299390
PubChem CID:	117682785
Reduced:	SF2O3N5C21H23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	3.54
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-2-methyl-N-(5-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=C(C=C(C=N2)[C@@H](CO)O)F)C(=O)NC3=NC4=C(S3)C=C(C(=C4)C)F

DOS

IR

Vibrations