Geometry & MOs

Info

ID:	61677
PubChem CID:	26711753
Reduced:	BrN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	404.156992
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	4.15
IP(EA), eV:	-9.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations