Geometry & MOs

Info

ID:

321295

PubChem CID:

126665692

Reduced:

F3O3N5H38C40 (1)

Stoich.:

A3B3C5D38E40 (1)

Weight, g/mol:

638.15157

ΔHf, kcal/mol:

-96.03

Dipole, Da:

1.86

IP(EA), eV:

 -8.68(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[(1S)-1-bromo-3-cyclopropylpropyl]-(2-fluorophenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2=CC(=CC=C2)N3C(=CC(=N3)C(F)(F)F)C(=O)NC4=CC=CC(=C4)C(C5=CC=C(C=C5)OCC6=CC=CC=C6)NCC7CC7

DOS

IR

Vibrations