Geometry & MOs

Info

ID:	85708
PubChem CID:	49878413
Reduced:	BrSN3O4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	587.07012
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	8.7
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=CC4=C3N(CC4)C(=O)CC)Br)C

DOS

IR

Vibrations