Geometry & MOs

Info

ID:	226413
PubChem CID:	87351897
Reduced:	F3O3N5C31H48 (1)
Stoich.:	A3B3C5D31E48 (1)
Weight, g/mol:	316.133102
ΔH_f, kcal/mol:	-265.62
Dipole, Da:	8.18
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E,5S)-5-[[(R)-tert-butylsulfinyl]amino]-5-cyclopropyl-3-hydroxy-1-methoxy-1-oxopent-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CCCN(CCC)CCCCN(C1=C(C=C(C=C1)CN(C(C)C2=NC=CN2)C(=O)OC(C)(C)C)CC)C(=O)C(F)(F)F

DOS

IR

Vibrations