Geometry & MOs

Info

ID:	159434
PubChem CID:	57280159
Reduced:	SO3C19H32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	4.57
IP(EA), eV:	-8.68(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) N-carbonochloridoyl-N-methylcarbamate

Drug info:

PubChemData

Smile

CCCCCC(=O)CC[C@@H]1CSC[C@@H]1CC=CCCCC(=O)O

DOS

IR

Vibrations