Geometry & MOs

Info

ID:	171956
PubChem CID:	75445372
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	8.19
IP(EA), eV:	-9.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-2-[(1-phenylpyrazol-3-yl)methylsulfonyl]imidazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC3

DOS

IR

Vibrations