Geometry & MOs

Info

ID:	157634
PubChem CID:	56436189
Reduced:	SO3N5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	367.121818
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	8.15
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(2,5-ditert-butylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NCCCC4=NC(=NO4)C

DOS

IR

Vibrations