Geometry & MOs

Info

ID:	67197
PubChem CID:	46506043
Reduced:	SN4O5C18H24 (1)
Stoich.:	AB4C5D18E24 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	-208.55
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations