Geometry & MOs

Info

ID:	144663
PubChem CID:	53394991
Reduced:	PN5O14C23H34 (1)
Stoich.:	AB5C14D23E34 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-618.43
Dipole, Da:	11.49
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations