Geometry & MOs

Info

ID:	61136
PubChem CID:	26705997
Reduced:	BrFN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	461.117605
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	3.06
IP(EA), eV:	-8.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations