Geometry & MOs

Info

ID:	47120
PubChem CID:	10529726
Reduced:	BrIN2O4C16H20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	510.10419
ΔH_f, kcal/mol:	-152.91
Dipole, Da:	2.72
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-3-bromo-4-[tris(4-methoxyphenyl)methoxy]cyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C)NC(=O)C1=C(C=CC(=C1)I)N(C)C(=O)CBr

DOS

IR

Vibrations