Geometry & MOs

Info

ID:	158897
PubChem CID:	57244158
Reduced:	SN6O7C27H28 (1)
Stoich.:	AB6C7D27E28 (1)
Weight, g/mol:	282.065887
ΔH_f, kcal/mol:	-191.33
Dipole, Da:	8.19
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-chlorophenyl)cyclobutyl]methyl]propanedioic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)N4CCN(C4=O)N=CC5=CC=CC=C5)C(=O)O)C

DOS

IR

Vibrations