Geometry & MOs

Info

ID:	190047
PubChem CID:	77944566
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	689.10163
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	1.43
IP(EA), eV:	-9.26(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-carboxy-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]carbamoylamino]-6-[(4-iodophenyl)methylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C12CC3CC(C1)CC(C3)(C2)N)N

DOS

IR

Vibrations