Geometry & MOs

Info

ID:	431698
PubChem CID:	135171794
Reduced:	O4N5C24H35 (1)
Stoich.:	A4B5C24D35 (1)
Weight, g/mol:	501.202146
ΔH_f, kcal/mol:	-143.94
Dipole, Da:	4.76
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-hydroxy-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC=C(N3)C(=O)NC

DOS

IR

Vibrations