Geometry & MOs

Info

ID:	231577
PubChem CID:	87574177
Reduced:	SO4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	376.01893
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	5.4
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-bromo-6-chloropyridin-3-yl)oxymethyl]cyclopropyl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)O)CS)OC

DOS

IR

Vibrations