Geometry & MOs

Info

ID:	312692
PubChem CID:	126607402
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	454.125351
ΔH_f, kcal/mol:	65.91
Dipole, Da:	4.01
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (2S)-2-[[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCC#CCSC1C=CC=C[NH+]1[O-]

DOS

IR

Vibrations