Geometry & MOs

Info

ID:

321384

PubChem CID:

126665937

Reduced:

OSN3C23H29 (1)

Stoich.:

ABC3D23E29 (1)

Weight, g/mol:

755.312839

ΔHf, kcal/mol:

42.56

Dipole, Da:

7.49

IP(EA), eV:

 -8.27(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-phenylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(CCC1CC1)(C2=CC(=CC=C2)N)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations