Geometry & MOs

Info

ID:	34273
PubChem CID:	7890589
Reduced:	ClNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	7.69
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3O)Cl

DOS

IR

Vibrations