Geometry & MOs

Info

ID:	324276
PubChem CID:	126677287
Reduced:	SO3N4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	239.085735
ΔH_f, kcal/mol:	18.19
Dipole, Da:	11.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.097693
Charge, e:	0

Chem-info

IUPAC name:

N-[methoxy-(4-sulfanylpiperazin-1-yl)phosphoryl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=C(N=C3S2)C(=O)NC4=C[N+](=CC=C4)O

DOS

IR

Vibrations