Geometry & MOs

Info

ID:	69361
PubChem CID:	46530840
Reduced:	SO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	52.85
Dipole, Da:	4.08
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations