Geometry & MOs

Info

ID:	203549
PubChem CID:	79844121
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	307.097521
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	3.81
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(3-chloro-4-methylphenyl)prop-2-enoylamino]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC1=C(C2=CC=CC=C2O1)C(=O)O

DOS

IR

Vibrations