Geometry & MOs

Info

ID:	435851
PubChem CID:	135192570
Reduced:	NC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	616.285677
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	2.27
IP(EA), eV:	-8.57(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

CC1CC(NCCCN(C1)C)C

DOS

IR

Vibrations