Geometry & MOs

Info

ID:	387789
PubChem CID:	134986936
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	302.075885
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	2.18
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-acetyl-3,5-bis(ethylamino)-1,4-dithiine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NC2=CC3=C(C=C12)OCO3)C(=O)OC

DOS

IR

Vibrations