Geometry & MOs

Info

ID:	304699
PubChem CID:	124766070
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	2.76
IP(EA), eV:	-9.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-5-ethyl-3-methyl-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations