Geometry & MOs

Info

ID:	382477
PubChem CID:	134973669
Reduced:	NH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	499.268236
ΔH_f, kcal/mol:	87.09
Dipole, Da:	6.47
IP(EA), eV:	-10.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1,4-dimethyl-5-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]methyl]-3-oxo-2-prop-2-enylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC/C(=C/C1=CC=C(C=C1)C#N)/C#N

DOS

IR

Vibrations