Geometry & MOs

Info

ID:	184565
PubChem CID:	77175658
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	462.191246
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	2.06
IP(EA), eV:	-8.97(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dihydroxy-1,4-thiazinan-4-yl)-[4-(trifluoromethyl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCCC1(C(C)C)NC(=O)OC2=CC=CC=C2O

DOS

IR

Vibrations