Geometry & MOs

Info

ID:	47390
PubChem CID:	10532224
Reduced:	ClSN6O7C29H33 (1)
Stoich.:	ABC6D7E29F33 (1)
Weight, g/mol:	645.230745
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	19.7
IP(EA), eV:	-8.92(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-diethoxyphosphoryl-4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=[N+]1CC(=O)NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)C(C)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations