Geometry & MOs

Info

ID:	190128
PubChem CID:	77959005
Reduced:	N5O5C39H47 (1)
Stoich.:	A5B5C39D47 (1)
Weight, g/mol:	425.18498
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	5.39
IP(EA), eV:	-8.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-fluorocyclobutyl)oxyphenyl]methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C4=CN=C(O4)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)C7CCCCC7

DOS

IR

Vibrations