Geometry & MOs

Info

ID:	433135
PubChem CID:	135173272
Reduced:	N2S2O5H28C29 (1)
Stoich.:	A2B2C5D28E29 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	10.47
IP(EA), eV:	-8.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(2E)-3-[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxy-2-hydrazinylidenepropylidene]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=S(\C)/C2=CC=C(C=C2)COC3=COC(=CC3=O)CN4CC5=CC=CC=C5C4

DOS

IR

Vibrations