Geometry & MOs

Info

ID:

321283

PubChem CID:

126665660

Reduced:

F4N5O5C31H35 (1)

Stoich.:

A4B5C5D31E35 (1)

Weight, g/mol:

667.278167

ΔHf, kcal/mol:

-386.81

Dipole, Da:

6.7

IP(EA), eV:

 -9.58(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[[cyclopropyl(methyl)amino]-(3-methoxyphenyl)methyl]-2-fluorophenyl]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=C4CCN(CC4=C3)C(=O)OC(C)(C)C)F

DOS

IR

Vibrations