Geometry & MOs

Info

ID:	1677
PubChem CID:	4864
Reduced:	N3O10C30H37 (1)
Stoich.:	A3B10C30D37 (1)
Weight, g/mol:	599.247894
ΔH_f, kcal/mol:	-414.07
Dipole, Da:	10.54
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethoxy)-5-[2-[[2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCC(=O)O

DOS

IR

Vibrations