Geometry & MOs

Info

ID:	204918
PubChem CID:	80032054
Reduced:	SN2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	10.4
Dipole, Da:	2.07
IP(EA), eV:	-9.05(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-nitro-3-[2-(sulfanylmethyl)butyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=NN1CCCCCCS

DOS

IR

Vibrations