Geometry & MOs

Info

ID:

321380

PubChem CID:

126665928

Reduced:

OF3N5H32C35 (1)

Stoich.:

AB3C5D32E35 (1)

Weight, g/mol:

766.346581

ΔHf, kcal/mol:

-40.41

Dipole, Da:

3.24

IP(EA), eV:

 -9.05(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[4-[(cyclopropylmethylamino)-[4-fluoro-3-[[2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)CN)C(F)(F)F

DOS

IR

Vibrations