Geometry & MOs

Info

ID:	70843
PubChem CID:	48413942
Reduced:	ClON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	78.42
Dipole, Da:	9.68
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations