Geometry & MOs

Info

ID:	186973
PubChem CID:	77509744
Reduced:	F2O2C27H42 (1)
Stoich.:	A2B2C27D42 (1)
Weight, g/mol:	536.223077
ΔH_f, kcal/mol:	-267.8
Dipole, Da:	2.96
IP(EA), eV:	-9.48(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-amino-3-(1H-imidazol-5-yl)propanoyl]oxypropanoic acid;3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)(F)F)C)C)C)OC1

DOS

IR

Vibrations