Geometry & MOs

Info

ID:	422590
PubChem CID:	135118095
Reduced:	O6N9C32H41 (1)
Stoich.:	A6B9C32D41 (1)
Weight, g/mol:	372.151907
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(4-fluorophenyl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CN3C=CC=NC3=N2)C)CC4=CC=CC=C4

DOS

IR

Vibrations