Geometry & MOs

Info

ID:	159306
PubChem CID:	57269537
Reduced:	ClN4O6C33H39 (1)
Stoich.:	AB4C6D33E39 (1)
Weight, g/mol:	347.136887
ΔH_f, kcal/mol:	-237.61
Dipole, Da:	3.43
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,5-dioxopyrrol-1-yl)propyl 2-phenylpropan-2-yloxy carbonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)N4C(=CN(C4=O)C)O)OCCC5CCCCN5C(=O)OC(C)(C)C)C

DOS

IR

Vibrations