Geometry & MOs

Info

ID:

321374

PubChem CID:

126665906

Reduced:

OF4N7H25C30 (1)

Stoich.:

AB4C7D25E30 (1)

Weight, g/mol:

638.15157

ΔHf, kcal/mol:

-49.71

Dipole, Da:

6.91

IP(EA), eV:

 -9.31(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations