Geometry & MOs

Info

ID:	438345
PubChem CID:	135228078
Reduced:	N5O12C22H41 (1)
Stoich.:	A5B12C22D41 (1)
Weight, g/mol:	265.99761
ΔH_f, kcal/mol:	-540.77
Dipole, Da:	5.37
IP(EA), eV:	-8.86(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropyl] thiohypobromite

Drug info:

PubChemData

Smile

C=C(C1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)O)O)N

DOS

IR

Vibrations