Geometry & MOs

Info

ID:	431912
PubChem CID:	135172037
Reduced:	ClFN3O3C24H31 (1)
Stoich.:	ABC3D3E24F31 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	5.03
IP(EA), eV:	-8.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(cyclopropylcarbamoylamino)-6-phenylmethoxyindol-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1F)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations