Geometry & MOs

Info

ID:	39640
PubChem CID:	8141732
Reduced:	BrO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	410.198777
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	4.19
IP(EA), eV:	-9.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[3-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations