Geometry & MOs

Info

ID:	176867
PubChem CID:	76106814
Reduced:	NSO4C23H33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	869.9483
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	6.09
IP(EA), eV:	-8.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-acetyloxypropyl-(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-6-aminohexanoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1OS(=O)NC2=CC=C(C=C2)OCCC

DOS

IR

Vibrations