Geometry & MOs

Info

ID:	299398
PubChem CID:	117682810
Reduced:	SF2O3N5C19H19 (1)
Stoich.:	AB2C3D5E19F19 (1)
Weight, g/mol:	461.153304
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	3.98
IP(EA), eV:	-9.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=N2)[C@@H](CO)O)F)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations