Geometry & MOs

Info

ID:	156601
PubChem CID:	56371303
Reduced:	OS2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	415.94847
ΔH_f, kcal/mol:	32.43
Dipole, Da:	11.32
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 2-(4-bromophenyl)sulfonyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C2=NC(=CS2)CSC3=NN=C(N3C)C(C)C)C(=O)C

DOS

IR

Vibrations