Geometry & MOs

Info

ID:

189513

PubChem CID:

77867602

Reduced:

F5O5N6H21C23 (1)

Stoich.:

A5B5C6D21E23 (1)

Weight, g/mol:

543.13457

ΔHf, kcal/mol:

-364.36

Dipole, Da:

2.73

IP(EA), eV:

 -9.33(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-(1-carbamoylindol-3-yl)-2-N-[[3-chloro-2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-4-fluoropyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=N1)N(N=C2C(=O)N)CC(=O)N3CC(C(C3C(=O)NC4=C(C(=CC=C4)OC(F)(F)F)F)OC)F

DOS

IR

Vibrations