Geometry & MOs

Info

ID:	312152
PubChem CID:	126603365
Reduced:	NOC20H35 (1)
Stoich.:	ABC20D35 (1)
Weight, g/mol:	257.181336
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	2.99
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidothioate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=CC(=C1C(C)(C)C)CCC(CN)OC

DOS

IR

Vibrations