Geometry & MOs

Info

ID:	133396
PubChem CID:	51520601
Reduced:	ClNSO4H10C14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	6.55
IP(EA), eV:	-9.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-ethylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=CC=CC=C2Cl)C(=O)[O-]

DOS

IR

Vibrations