Geometry & MOs

Info

ID:	444856
PubChem CID:	135263756
Reduced:	O4N5H21C26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	438.28422
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	7.76
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2S)-2-[[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]amino]propyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OCN1C=C(C2=CC(=NC=C21)C3=CC(=CC(=C3)OC)NC(=O)C=C)C4=CC(=NC=C4)C#N

DOS

IR

Vibrations