Geometry & MOs

Info

ID:

414467

PubChem CID:

135087425

Reduced:

NSF2O3C15H19 (1)

Stoich.:

ABC2D3E15F19 (1)

Weight, g/mol:

769.373387

ΔHf, kcal/mol:

-214.88

Dipole, Da:

3.48

IP(EA), eV:

 -9.59(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)S(=O)(=O)C3=C(C=C(C=C3)F)F)O

DOS

IR

Vibrations