Geometry & MOs

Info

ID:	186795
PubChem CID:	77486131
Reduced:	SO4N5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	491.200254
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	10.73
IP(EA), eV:	-8.46(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-tert-butyl-5-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-1,3-oxazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C2=NN=C(S2)C3=C4CCC(C4=CC=C3)NC(=O)N5CC(C5)C(=O)O)N

DOS

IR

Vibrations