Geometry & MOs

Info

ID:	314816
PubChem CID:	126623470
Reduced:	ON2F3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	656.08011
ΔH_f, kcal/mol:	-195.95
Dipole, Da:	4.32
IP(EA), eV:	-8.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[(6-bromopyridin-2-yl)carbamoyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-(1,2-oxazol-3-ylmethylcarbamoylamino)indole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC1=C(C=CC(=N1)OCC(F)(F)F)C

DOS

IR

Vibrations