Geometry & MOs

Info

ID:	179773
PubChem CID:	76529518
Reduced:	S2O3F4N4C20H22 (1)
Stoich.:	A2B3C4D4E20F22 (1)
Weight, g/mol:	492.069275
ΔH_f, kcal/mol:	-263.58
Dipole, Da:	10.74
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[6-[(1-methylpyrrolidin-2-yl)methylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CCN1S(=O)(=O)C2=CC=C(S2)N3CCNCC3=O)C4=C(C=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations