Geometry & MOs

Info

ID:	419067
PubChem CID:	135107417
Reduced:	O5N6C37H48 (1)
Stoich.:	A5B6C37D48 (1)
Weight, g/mol:	344.120607
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	6.21
IP(EA), eV:	-8.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)CN5CCOC6=CC=CC=C6C5)C(C)C

DOS

IR

Vibrations