Geometry & MOs

Info

ID:	70997
PubChem CID:	48414159
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	8.24
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C(=C2)Cl)OCCC(C)C)OC

DOS

IR

Vibrations