Geometry & MOs

Info

ID:	190511
PubChem CID:	78014085
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	293.150443
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	5.88
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethoxy-1-oxopropan-2-yl)-(2-piperazin-1-ylethyl)phosphonamidic acid

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)C4=CC5=C(C=C4)NCC5)NS(=O)(=O)C

DOS

IR

Vibrations