Geometry & MOs

Info

ID:	314637
PubChem CID:	126622534
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	680.14279
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	2.77
IP(EA), eV:	-9.33(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-5-fluoroazepan-1-yl]-2-oxoethyl]-5-(tert-butylsulfamoylmethoxy)indole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NCCCCC2=CC=CC=C2)F

DOS

IR

Vibrations