Geometry & MOs

Info

ID:	215171
PubChem CID:	85084301
Reduced:	PSN6O10C29H45 (1)
Stoich.:	ABC6D10E29F45 (1)
Weight, g/mol:	734.588297
ΔH_f, kcal/mol:	-451.37
Dipole, Da:	9.48
IP(EA), eV:	-8.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2-dihexadecoxycyclopentyl)methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCS(=O)C(C)(C)C)OC3=CC=C(C=C3)CC(C(=O)OC(C)(C)C)N)N=[N+]=[N-]

DOS

IR

Vibrations