Geometry & MOs

Info

ID:	444913
PubChem CID:	135263924
Reduced:	N2O4C31H34 (1)
Stoich.:	A2B4C31D34 (1)
Weight, g/mol:	382.22162
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	5.54
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]amino]propyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(=O)N2CCC3=C(C2)C=C(C=C3)C(CC(=O)O)C4=C(C=C(C=C4)C(=O)N)C)C)C

DOS

IR

Vibrations