Geometry & MOs

Info

ID:	140533
PubChem CID:	52716190
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	404.097683
ΔH_f, kcal/mol:	-100.86
Dipole, Da:	1.09
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4

DOS

IR

Vibrations