Geometry & MOs

Info

ID:	137536
PubChem CID:	52222505
Reduced:	F3N4O4C18H21 (1)
Stoich.:	A3B4C4D18E21 (1)
Weight, g/mol:	316.064841
ΔH_f, kcal/mol:	-269.27
Dipole, Da:	4.99
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@](CCNC(=O)N(C)CC2=CC3=C(C=C2)OCO3)(C(F)(F)F)O

DOS

IR

Vibrations