Geometry & MOs

Info

ID:	178584
PubChem CID:	76353294
Reduced:	BrFOSN3H13C18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	24.53
Dipole, Da:	0.8
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C=CC(=O)NCC2=NC(=CS2)C3=CC=NC=C3)F

DOS

IR

Vibrations