Geometry & MOs

Info

ID:	284485
PubChem CID:	104050228
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	289.171165
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	5.08
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(diethylamino)ethylsulfanyl]-2,2-dimethyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)CSC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations