Geometry & MOs

Info

ID:	298011
PubChem CID:	117646018
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	688.451011
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	3.48
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[[18-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-18-oxooctadecanoyl]amino]-5-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC3=C2C(=O)NC3

DOS

IR

Vibrations