Geometry & MOs

Info

ID:	133936
PubChem CID:	51616732
Reduced:	SO3N4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	8.93
IP(EA), eV:	-8.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(difluoromethoxy)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=NC=C(N3C)C4=CC=CC=C4

DOS

IR

Vibrations