Geometry & MOs

Info

ID:	82020
PubChem CID:	49855490
Reduced:	SN3O3C27H27 (1)
Stoich.:	AB3C3D27E27 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	5.91
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methoxyphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC5=C(CS(=O)(=O)C5)C=C4

DOS

IR

Vibrations