Geometry & MOs

Info

ID:	150050
PubChem CID:	53789735
Reduced:	O4N5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	770.657045
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	5.9
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(octadec-9-enoxy)propan-2-yl N-[2-(diethylamino)ethyl]sulfamate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)OCC)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5

DOS

IR

Vibrations