Geometry & MOs

Info

ID:	189514
PubChem CID:	77867635
Reduced:	ClF2O3N9H20C23 (1)
Stoich.:	AB2C3D9E20F23 (1)
Weight, g/mol:	436.185903
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	3.87
IP(EA), eV:	-8.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-N-(1-carbamoylindol-3-yl)-2-N-(3-hydroxyphenyl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NCC2=C(C(=CC(=C2)C3=NNN=N3)Cl)F)C(=O)NC4=CN(C5=CC=CC=C54)C(=O)N)F

DOS

IR

Vibrations