Geometry & MOs

Info

ID:	80950
PubChem CID:	49854054
Reduced:	NO9C31H39 (1)
Stoich.:	AB9C31D39 (1)
Weight, g/mol:	397.115936
ΔH_f, kcal/mol:	-393.98
Dipole, Da:	5.28
IP(EA), eV:	-9.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-[4-(2,4-difluorophenyl)phenoxy]oxolan-3-yl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C(=O)OC[C@@]1([C@H](CC[C@]2(C1C[C@@H]([C@@]3(C2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)O)C

DOS

IR

Vibrations