Geometry & MOs

Info

ID:	83931
PubChem CID:	49862614
Reduced:	O4N5C29H33 (1)
Stoich.:	A4B5C29D33 (1)
Weight, g/mol:	410.123105
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	9.82
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)-2-phenylethyl]-3-chloro-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC=C2)C3=CC=CC(=C3)CNC(=O)C4CC=CC[C@H]4C(=O)O

DOS

IR

Vibrations