Geometry & MOs

Info

ID:	187333
PubChem CID:	77560523
Reduced:	ClFO4N6C21H22 (1)
Stoich.:	ABC4D6E21F22 (1)
Weight, g/mol:	498.236601
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	7.64
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)N(C(=C2C(=O)N)N3CCCC(C3)NC(=O)O)CC4=C(C=CC(=C4)F)Cl

DOS

IR

Vibrations