Geometry & MOs

Info

ID:	147359
PubChem CID:	53787015
Reduced:	N5O5C26H37 (1)
Stoich.:	A5B5C26D37 (1)
Weight, g/mol:	636.7511
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	11.44
IP(EA), eV:	-8.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl-[3-carboxy-5-(hydroxymethyl)-2,4,6-triiodophenyl]-methylazanium;chloride

Drug info:

PubChemData

Smile

CCCCN(CCN)C(=O)CN1C[C@@H](C([C@@H]1CCC2=NC=CN2C)C(=O)O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations