Geometry & MOs

Info

ID:	63756
PubChem CID:	26759128
Reduced:	ClSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	358.075406
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	6.97
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations