Geometry & MOs

Info

ID:	265439
PubChem CID:	103520942
Reduced:	ClNSO4C14H20 (1)
Stoich.:	ABCD4E14F20 (1)
Weight, g/mol:	266.11227
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	4.39
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,3-dimethylbutylsulfonyl(methyl)amino]propanethioamide

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations