Geometry & MOs

Info

ID:	215050
PubChem CID:	85084057
Reduced:	BSnC39H81 (1)
Stoich.:	ABC39D81 (1)
Weight, g/mol:	679.28132
ΔH_f, kcal/mol:	-153.46
Dipole, Da:	0.71
IP(EA), eV:	-8.84(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[11-(2-amino-2-oxoethyl)-14-benzyl-5,8,17-tris(1-hydroxyethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid

Drug info:

PubChemData

Smile

B(CCCCCCC)(CCCCCCC)C(=C(CCCC)[Sn](CCCC)(CCCC)CCCC)CCCCCCC

DOS

IR

Vibrations