Geometry & MOs

Info

ID:	51254
PubChem CID:	12013896
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	492.085492
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	1.98
IP(EA), eV:	-9.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-[(2-carboxy-5-chlorophenyl)carbamoyl]-2,2-dimethylcyclobutyl]acetyl]amino]-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCC(=O)[C@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations