Geometry & MOs

Info

ID:	447195
PubChem CID:	135281074
Reduced:	PN4O6C33H52 (1)
Stoich.:	AB4C6D33E52 (1)
Weight, g/mol:	530.241998
ΔH_f, kcal/mol:	-259.34
Dipole, Da:	7.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757383
Charge, e:	1

Chem-info

IUPAC name:

[3,6-bis(dimethylamino)-9H-xanthen-9-yl]oxy-[3-[5-carboxypentyl(methyl)amino]-3-oxopropyl]-oxophosphanium

Drug info:

PubChemData

Smile

CCN(CC)CC.CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C)O[P+](=O)CCC(=O)N(C)CCCCCC(=O)O

DOS

IR

Vibrations