Geometry & MOs

Info

ID:	77357
PubChem CID:	48426249
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	338.11227
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	1.07
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N(CC)CC

DOS

IR

Vibrations