Geometry & MOs

Info

ID:	439520
PubChem CID:	135229295
Reduced:	O3N7C22H29 (1)
Stoich.:	A3B7C22D29 (1)
Weight, g/mol:	248.054087
ΔH_f, kcal/mol:	38.17
Dipole, Da:	3.46
IP(EA), eV:	-7.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclobutylidene-3-hydroxypropyl)disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=CN(C(=O)N3C2=NC=C3C4CC4)C5CC(C5)N(C)C(C=C)O

DOS

IR

Vibrations