Geometry & MOs

Info

ID:

321333

PubChem CID:

126665819

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

633.292675

ΔHf, kcal/mol:

-290.52

Dipole, Da:

5.97

IP(EA), eV:

 -9.17(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[[cyclopropyl(methyl)amino]-(3-methylphenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)N5C=CCCC5=O)F

DOS

IR

Vibrations