Geometry & MOs

Info

ID:	52424
PubChem CID:	12015285
Reduced:	BrOSN3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	530.04121
ΔH_f, kcal/mol:	58.73
Dipole, Da:	9.68
IP(EA), eV:	-8.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)/C=C/1\C(=S)N(C(=O)N1C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations