Geometry & MOs

Info

ID:	185951
PubChem CID:	77373431
Reduced:	N4O4C18H27 (1)
Stoich.:	A4B4C18D27 (1)
Weight, g/mol:	408.28105
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801354
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[decyl(ethyl)amino]but-2-enyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=NC(=NC2=[N+](C1=O)CCC)C3CCC(C3)OCOC

DOS

IR

Vibrations