Geometry & MOs

Info

ID:	447686
PubChem CID:	135284783
Reduced:	ClO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	467.149047
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	5.72
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dimethyl-1-[4-(2-methyl-[1,3]thiazolo[5,4-c]pyridin-7-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC(=NN2C(=C1)C3=CC(=C(C=C3)OCC(C)(CC(C)C)NC(=O)O)Cl)C

DOS

IR

Vibrations