Geometry & MOs

Info

ID:	382478
PubChem CID:	134973670
Reduced:	N3O6C27H37 (1)
Stoich.:	A3B6C27D37 (1)
Weight, g/mol:	354.179087
ΔH_f, kcal/mol:	-237.43
Dipole, Da:	4.23
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1,4-dimethyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxo-2-(2-oxoethyl)pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(C(=O)C(=C(N1C)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C)CC=C

DOS

IR

Vibrations