Geometry & MOs

Info

ID:	170216
PubChem CID:	75208789
Reduced:	SO2N7C21H25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	377.02766
ΔH_f, kcal/mol:	14.66
Dipole, Da:	2.02
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-N-(2-iodophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C=CCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)NC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations