Geometry & MOs

Info

ID:	67196
PubChem CID:	46506041
Reduced:	S2N4O5C17H18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	408.146741
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	7.29
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)S(=O)(=O)N

DOS

IR

Vibrations