Geometry & MOs

Info

ID:	131033
PubChem CID:	51148117
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	4.68
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations