Geometry & MOs

Info

ID:	185100
PubChem CID:	77255321
Reduced:	NF2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	571.117096
ΔH_f, kcal/mol:	-265.57
Dipole, Da:	6.52
IP(EA), eV:	-10.11(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[4-hydroxy-4-[5-[3-methylsulfonyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]azepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC1C=C(F)F)C(=O)O

DOS

IR

Vibrations