Geometry & MOs

Info

ID:	226234
PubChem CID:	87350201
Reduced:	ClSN4H13C21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	418.357582
ΔH_f, kcal/mol:	140.48
Dipole, Da:	2.98
IP(EA), eV:	-8.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dipropoxyphosphoryloctadecane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)N3C4=CC=CC=C4SC5=CC=CC=C53

DOS

IR

Vibrations