Geometry & MOs

Info

ID:	62517
PubChem CID:	26719826
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	23.71
Dipole, Da:	6.66
IP(EA), eV:	-8.16(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-(3-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)NC2=CC(=CC=C2)SC)C3=CC=CC=C3

DOS

IR

Vibrations