Geometry & MOs

Info

ID:	66063
PubChem CID:	46490935
Reduced:	BrN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	7.94
IP(EA), eV:	-9.06(-0.96)
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-(1-pyridin-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCCNC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations