Geometry & MOs

Info

ID:	398345
PubChem CID:	135032879
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	275.9414
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	4.77
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-iodobutyl) acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC2=CCC(CC2)C(C)(C)C

DOS

IR

Vibrations