Geometry & MOs

Info

ID:	342412
PubChem CID:	127265235
Reduced:	NS2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	7.6
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(2-methylpyrazol-3-yl)-N-(2-methylsulfonylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)N(CCS(=O)(=O)C)C(C)(C)C

DOS

IR

Vibrations