Geometry & MOs

Info

ID:	59660
PubChem CID:	24892276
Reduced:	N2F3O6C25H25 (1)
Stoich.:	A2B3C6D25E25 (1)
Weight, g/mol:	418.065714
ΔH_f, kcal/mol:	-369.85
Dipole, Da:	7.86
IP(EA), eV:	-9.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(benzenesulfonyl)propanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)C4=CC=CC=C4)(C)C(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations