Geometry & MOs

Info

ID:	68587
PubChem CID:	46508707
Reduced:	ClSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	429.11069
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	3.78
IP(EA), eV:	-8.3(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(furan-2-yl)-6-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations