Geometry & MOs

Info

ID:	224465
PubChem CID:	85343496
Reduced:	ClNOPSC33H33 (1)
Stoich.:	ABCDEF33G33 (1)
Weight, g/mol:	559.278132
ΔH_f, kcal/mol:	67.32
Dipole, Da:	19.24
IP(EA), eV:	-7.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(23-phenoxy-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosan-8-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=NC(=CS1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5.[Cl-]

DOS

IR

Vibrations