Geometry & MOs

Info

ID:	165030
PubChem CID:	74487560
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	369.96368
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	4.9
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodophenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OCC(=O)N2CCC3=C(C2)C=CS3)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations