Geometry & MOs

Info

ID:	203672
PubChem CID:	79858253
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	322.138485
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	4.33
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)-2-propylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C#N)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations