Geometry & MOs

Info

ID:	431686
PubChem CID:	135171782
Reduced:	NP2O10C25H39 (1)
Stoich.:	AB2C10D25E39 (1)
Weight, g/mol:	375.99105
ΔH_f, kcal/mol:	-546.25
Dipole, Da:	4.51
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[2,3-difluoro-4-(2-hydroxyphenyl)phenyl]phenol

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations