Geometry & MOs

Info

ID:	446492
PubChem CID:	135275439
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	292.06147
ΔH_f, kcal/mol:	-203.26
Dipole, Da:	3.3
IP(EA), eV:	-9.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[3-chloro-4-(methylideneamino)-5-(methyliminomethyl)benzoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C1=CC=C(O1)C=O)OC(C)(C)C

DOS

IR

Vibrations