Geometry & MOs

Info

ID:	306040
PubChem CID:	125000866
Reduced:	SN2O4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	464.176979
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	3.97
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-4-methylsulfonyl-6-(phenoxymethyl)-1,4-diazepan-1-yl]-(2-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(C[C@@H](C1)COC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations