Geometry & MOs

Info

ID:	151284
PubChem CID:	53790984
Reduced:	PBr6O6C16H25 (1)
Stoich.:	AB6C6D16E25 (1)
Weight, g/mol:	493.150345
ΔH_f, kcal/mol:	-326.63
Dipole, Da:	3.22
IP(EA), eV:	-9.97(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOP(=O)(OC(C(C)(C)CBr)(Br)Br)OC(C(C)(C)CBr)(Br)Br

DOS

IR

Vibrations