Geometry & MOs

Info

ID:

321279

PubChem CID:

126665652

Reduced:

O2F3N5H28C29 (1)

Stoich.:

A2B3C5D28E29 (1)

Weight, g/mol:

651.283253

ΔHf, kcal/mol:

-100.78

Dipole, Da:

5.67

IP(EA), eV:

 -8.97(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations