Geometry & MOs

Info

ID:	68714
PubChem CID:	46508967
Reduced:	S2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	399.100125
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	4.23
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)C)C

DOS

IR

Vibrations