Geometry & MOs

Info

ID:	126122
PubChem CID:	50952976
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	396.108814
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	9.02
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)N2C3=CC=CC=C3N=C2CCCO)NC(=O)C

DOS

IR

Vibrations