Geometry & MOs

Info

ID:	37680
PubChem CID:	8023076
Reduced:	ClO2N6H13C18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	38.59
Dipole, Da:	2.12
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations