Geometry & MOs

Info

ID:	156671
PubChem CID:	56371630
Reduced:	F2N3O3C28H29 (1)
Stoich.:	A2B3C3D28E29 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	6.87
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)F)F)O)CCCC4=CC=CC=C4

DOS

IR

Vibrations