Geometry & MOs

Info

ID:	203291
PubChem CID:	79808644
Reduced:	BrSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	339.036578
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	4.01
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C2=CC3=C(C=C2)OCCCO3)Br

DOS

IR

Vibrations