Geometry & MOs

Info

ID:	41801
PubChem CID:	8147127
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	387.085304
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	9.59
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations