Geometry & MOs

Info

ID:	418730
PubChem CID:	135106651
Reduced:	O4N7C30H39 (1)
Stoich.:	A4B7C30D39 (1)
Weight, g/mol:	364.065984
ΔH_f, kcal/mol:	-138.95
Dipole, Da:	4.78
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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)C5=CN=CN5)C(C)C

DOS

IR

Vibrations