Geometry & MOs

Info

ID:	190276
PubChem CID:	77980254
Reduced:	O2N3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	571.154636
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	8.32
IP(EA), eV:	-8.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-acetyl-6-(2H-tetrazol-5-ylmethoxy)indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NCC2=CC=CC=C2O)C(=O)NC3=CN(C4=CC=CC=C43)C(=O)N)N

DOS

IR

Vibrations