Geometry & MOs

Info

ID:	162602
PubChem CID:	57410663
Reduced:	FN3O4C32H32 (1)
Stoich.:	AB3C4D32E32 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-126.62
Dipole, Da:	6.25
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2R)-3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(N=C4C=C3)C5=CC=C(C=C5)F)CCCCC(=O)O

DOS

IR

Vibrations