Geometry & MOs

Info

ID:	438387
PubChem CID:	135228123
Reduced:	N5O5C28H41 (1)
Stoich.:	A5B5C28D41 (1)
Weight, g/mol:	276.13953
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	5.46
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopropane-1-sulfinate

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations