Geometry & MOs

Info

ID:	222857
PubChem CID:	85332779
Reduced:	IO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	564.292616
ΔH_f, kcal/mol:	-157.29
Dipole, Da:	3.73
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-chlorophenyl)acetyl]amino]-N-[3-methyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)butyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)C#CC=CCOC2=C(C=C(C=C2)CC(C(=O)O)OCC)I)OCC

DOS

IR

Vibrations