Geometry & MOs

Info

ID:	342589
PubChem CID:	127265749
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	4.77
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(1,5-dimethylpyrazol-4-yl)-N-(2-methylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC(C)NC(=O)C=CC2=CC=NN2C

DOS

IR

Vibrations