Geometry & MOs

Info

ID:	125031
PubChem CID:	50907698
Reduced:	NSO5H25C26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	408.02219
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	4.6
IP(EA), eV:	-7.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations