Geometry & MOs

Info

ID:

321391

PubChem CID:

126665945

Reduced:

OF2N3C16H16 (2)

Stoich.:

AB2C3D16E16 (2)

Weight, g/mol:

600.175118

ΔHf, kcal/mol:

-156.62

Dipole, Da:

4.24

IP(EA), eV:

 -9.49(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[chloro-[3-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)NC(CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations