Geometry & MOs

Info

ID:	203569
PubChem CID:	79846617
Reduced:	ClNS2O5C12H16 (1)
Stoich.:	ABC2D5E12F16 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-199.63
Dipole, Da:	4.08
IP(EA), eV:	-10.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[2-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations