Geometry & MOs

Info

ID:	52425
PubChem CID:	12015286
Reduced:	BrSO2N4H19C26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	513.162332
ΔH_f, kcal/mol:	70.6
Dipole, Da:	3.73
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2C(=C(SC3=C2N(C(=O)N3C4=CC=C(C=C4)Br)C5=CC=CC=C5)N)C#N

DOS

IR

Vibrations