Geometry & MOs

Info

ID:	166272
PubChem CID:	74660465
Reduced:	SO2N4C18H29 (1)
Stoich.:	AB2C4D18E29 (1)
Weight, g/mol:	375.20323
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	15.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758548
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[3-[[1-(3-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]propyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CCCNC=C1C(=O)NC(=S)N(C1=O)CCC2=CCCCC2

DOS

IR

Vibrations