Geometry & MOs

Info

ID:	424893
PubChem CID:	135124351
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	303.97688
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	2.35
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-bromo-2-methyl-3-(4-methylsulfonylphenyl)propanal

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](C3=CC(=C(S3)C)CO)C(C)(C)C(=O)OC)C)N=N1

DOS

IR

Vibrations