Geometry & MOs

Info

ID:	157609
PubChem CID:	56436024
Reduced:	FON4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	4.56
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-(4-methoxyphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations