Geometry & MOs

Info

ID:	146835
PubChem CID:	53756753
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	368.058214
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	5.19
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2,6-dichloro-4-hydroxyphenoxy)methyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(=O)C1=CN=CC=C1)C(=S)OC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations