Geometry & MOs

Info

ID:	189454
PubChem CID:	77859944
Reduced:	N2O7C14H24 (1)
Stoich.:	A2B7C14D24 (1)
Weight, g/mol:	483.248169
ΔH_f, kcal/mol:	-329.2
Dipole, Da:	6.95
IP(EA), eV:	-9.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-amino-6-(pyrimidin-2-ylamino)hexanoyl]pyrrolidine-2-carbonyl]oxy-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations