Geometry & MOs

Info

ID:	188374
PubChem CID:	77705951
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	632.335604
ΔH_f, kcal/mol:	39.55
Dipole, Da:	5.14
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[7-(2-ethylheptyl)-5-methyl-4-oxo-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)NC(=C2C3=CC=CC=C3NC2=O)C4=CC=CC=C4)N

DOS

IR

Vibrations