Geometry & MOs

Info

ID:	69643
PubChem CID:	47205078
Reduced:	OCl2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	281.038961
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	6.21
IP(EA), eV:	-9.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)NCC2=CC=NN2)Cl

DOS

IR

Vibrations