Geometry & MOs

Info

ID:	342055
PubChem CID:	127264768
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	43.39
Dipole, Da:	4.33
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-4-(4-propan-2-ylphenyl)but-3-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CCC(=O)NCC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations