Geometry & MOs

Info

ID:	299860
PubChem CID:	117718850
Reduced:	N2S5C40H48 (1)
Stoich.:	A2B5C40D48 (1)
Weight, g/mol:	478.04073
ΔH_f, kcal/mol:	90.05
Dipole, Da:	1.91
IP(EA), eV:	-8.51(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(4-chlorophenyl)-[(1,5-dimethyl-6-oxopyridin-3-yl)amino]methyl]-3-ethylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(C4=NSN=C34)C5=CC=C(S5)C6=CC=C(S6)CCC(CC)CCCC

DOS

IR

Vibrations