Geometry & MOs

Info

ID:	449686
PubChem CID:	135300630
Reduced:	O4N5C13H13 (1)
Stoich.:	A4B5C13D13 (1)
Weight, g/mol:	572.295848
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	4.44
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoyl]amino]pentyl]amino]phenyl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)NCCC(=O)OCC#N)N=[N+]=[N-]

DOS

IR

Vibrations