Geometry & MOs

Info

ID:	177260
PubChem CID:	76155521
Reduced:	SSiN2O12C54H72 (1)
Stoich.:	ABC2D12E54F72 (1)
Weight, g/mol:	303.99105
ΔH_f, kcal/mol:	-504.95
Dipole, Da:	8.53
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4,4-difluoro-1-hydroxy-2-methyl-1-phenylpent-1-en-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C)OCC6=CC=CC=C6)NC(=O)C)OC(C)C(=O)OC)NC(=O)C

DOS

IR

Vibrations