Geometry & MOs

Info

ID:	76893
PubChem CID:	48425539
Reduced:	BrN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	4.34
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations