Geometry & MOs

Info

ID:	65444
PubChem CID:	29214993
Reduced:	FS2O3N4C17H27 (1)
Stoich.:	AB2C3D4E17F27 (1)
Weight, g/mol:	415.01677
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	12.06
IP(EA), eV:	-8.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl] 5-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=CC=C1F

DOS

IR

Vibrations