Geometry & MOs

Info

ID:	299395
PubChem CID:	117682801
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	2.31
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2=NC3=CC=CC=C3S2)C4=NC=C(C=C4C)[C@@H](CO)O

DOS

IR

Vibrations