Geometry & MOs

Info

ID:	436391
PubChem CID:	135199703
Reduced:	SF4N4O5C39H44 (1)
Stoich.:	AB4C4D5E39F44 (1)
Weight, g/mol:	454.242749
ΔH_f, kcal/mol:	-340.43
Dipole, Da:	4.62
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(6-formamidohexylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCCCC(=O)OC5=C(C(=CC(=C5F)F)F)F)SC=C3

DOS

IR

Vibrations