Geometry & MOs

Info

ID:	237654
PubChem CID:	92720231
Reduced:	OSN2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	14.52
Dipole, Da:	1.93
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dimethoxyphenyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations