Geometry & MOs

Info

ID:	294819
PubChem CID:	117498515
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	311.944842
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	2.43
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-4-(thietan-3-yloxy)phenyl]methanesulfonyl chloride

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C(C=CC3=C2COCO3)Br

DOS

IR

Vibrations