Geometry & MOs

Info

ID:	292223
PubChem CID:	114518056
Reduced:	SN3O6C11H23 (1)
Stoich.:	AB3C6D11E23 (1)
Weight, g/mol:	361.99761
ΔH_f, kcal/mol:	-283.71
Dipole, Da:	4.21
IP(EA), eV:	-9.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)sulfanyl-1-(3-cyclopropyloxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNS(=O)(=O)N(C)CCC(=O)O

DOS

IR

Vibrations