Geometry & MOs

Info

ID:	63750
PubChem CID:	26759107
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	498.02826
ΔH_f, kcal/mol:	-244.9
Dipole, Da:	2.68
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations