Geometry & MOs

Info

ID:	304625
PubChem CID:	124765992
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	1.43
IP(EA), eV:	-9.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-1-(4-chlorophenyl)-3,5-dimethyl-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=CC=C3C)(CO)C(=O)OC

DOS

IR

Vibrations