Geometry & MOs

Info

ID:	146770
PubChem CID:	53746658
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	443.07659
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	4.34
IP(EA), eV:	-9.32(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(4-bromophenoxy)sulfinylamino]cyclohexyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CN=CN1)(C=C)N

DOS

IR

Vibrations