Geometry & MOs

Info

ID:	237286
PubChem CID:	92718088
Reduced:	FNO6H22C24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	499.124901
ΔH_f, kcal/mol:	-207.66
Dipole, Da:	6.21
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations