Geometry & MOs

Info

ID:	49725
PubChem CID:	11533666
Reduced:	ClSN4O4C25H29 (1)
Stoich.:	ABC4D4E25F29 (1)
Weight, g/mol:	516.11837
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	4.57
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=N)C2=CC=C(C=C2)C3=NOC(C3)(C)CNC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations