Geometry & MOs

Info

ID:	245299
PubChem CID:	99443266
Reduced:	FNSO3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	6.95
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)F

DOS

IR

Vibrations