Geometry & MOs

Info

ID:	159160
PubChem CID:	57264272
Reduced:	SN2O5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	715.8126
ΔH_f, kcal/mol:	-232.84
Dipole, Da:	7.35
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-aminoacetyl)amino]-5-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodobenzoic acid

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC[C@H](C(=O)N1C(C)C(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)SC(=O)C

DOS

IR

Vibrations