Geometry & MOs

Info

ID:	161028
PubChem CID:	57390559
Reduced:	NC24H41 (1)
Stoich.:	AB24C41 (1)
Weight, g/mol:	666.152416
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	1.28
IP(EA), eV:	-8.38(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)N(C)CCC

DOS

IR

Vibrations