Geometry & MOs

Info

ID:	68840
PubChem CID:	46509198
Reduced:	O3N7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	457.076613
ΔH_f, kcal/mol:	85.24
Dipole, Da:	4.79
IP(EA), eV:	-9.17(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations