Geometry & MOs

Info

ID:	62433
PubChem CID:	26719714
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	3.23
IP(EA), eV:	-8.25(-0.97)
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-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations