Geometry & MOs

Info

ID:	52426
PubChem CID:	12015287
Reduced:	OSN5H23C31 (1)
Stoich.:	ABC5D23E31 (1)
Weight, g/mol:	543.172896
ΔH_f, kcal/mol:	135.25
Dipole, Da:	4.63
IP(EA), eV:	-8.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-(4-anilinophenyl)-7-(2-methoxyphenyl)-2-oxo-1-phenyl-7H-thiopyrano[2,3-d]imidazole-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C(SC3=C2N(C(=O)N3C4=CC=C(C=C4)NC5=CC=CC=C5)C6=CC=CC=C6)N)C#N

DOS

IR

Vibrations