Geometry & MOs

Info

ID:	406269
PubChem CID:	135077107
Reduced:	IN2O6C19H27 (1)
Stoich.:	AB2C6D19E27 (1)
Weight, g/mol:	307.98705
ΔH_f, kcal/mol:	-253.28
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)sulfinylmethyl]-3-methylbenzene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)OC)I)C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations