Geometry & MOs

Info

ID:	135697
PubChem CID:	51918417
Reduced:	N2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	434.151158
ΔH_f, kcal/mol:	-235.25
Dipole, Da:	6.52
IP(EA), eV:	-8.84(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@@H](C)COC)C)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations