Geometry & MOs

Info

ID:	219796
PubChem CID:	85164905
Reduced:	PN5O9C26H42 (1)
Stoich.:	AB5C9D26E42 (1)
Weight, g/mol:	598.26577
ΔH_f, kcal/mol:	-503.33
Dipole, Da:	3.43
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) 4-bromobenzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NCCC(C)C)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C

DOS

IR

Vibrations