Geometry & MOs

Info

ID:	65284
PubChem CID:	29211901
Reduced:	ClOSN4C19H25 (1)
Stoich.:	ABCD4E19F25 (1)
Weight, g/mol:	497.246061
ΔH_f, kcal/mol:	24.03
Dipole, Da:	3.61
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

CN(CC1=NN=C(N1C[C@H]2CCCO2)SC)C/C(=C/C3=CC=CC=C3)/Cl

DOS

IR

Vibrations