Geometry & MOs

Info

ID:

325173

PubChem CID:

126681750

Reduced:

FSO5N7C39H48 (1)

Stoich.:

ABC5D7E39F48 (1)

Weight, g/mol:

522.264234

ΔHf, kcal/mol:

-155.39

Dipole, Da:

5.08

IP(EA), eV:

 -8.6(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)(C4=CN=C(C=C4)C(=O)N)N[S@](=O)C(C)(C)C)F)C5=CC=CC(=C5)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations