Geometry & MOs

Info

ID:	157530
PubChem CID:	56435555
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	425.09641
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	5.0
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations