Geometry & MOs

Info

ID:	415138
PubChem CID:	135088124
Reduced:	SO5N6C27H34 (1)
Stoich.:	AB5C6D27E34 (1)
Weight, g/mol:	355.100205
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	3.73
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC3=C(C=CC(=C3)C4=NC=CN4CCNC(=O)[C@H](NC(=O)C2)C(C)C)OC

DOS

IR

Vibrations