Geometry & MOs

Info

ID:	214527
PubChem CID:	85083155
Reduced:	BrPC33H38 (1)
Stoich.:	ABC33D38 (1)
Weight, g/mol:	545.204967
ΔH_f, kcal/mol:	42.11
Dipole, Da:	12.81
IP(EA), eV:	-7.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

DOS

IR

Vibrations