Geometry & MOs

Info

ID:

418224

PubChem CID:

135103898

Reduced:

SN3O4C14H23 (1)

Stoich.:

AB3C4D14E23 (1)

Weight, g/mol:

743.307673

ΔHf, kcal/mol:

-156.34

Dipole, Da:

7.39

IP(EA), eV:

 -9.42(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-[[3-(trifluoromethyl)phenyl]methyl]-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

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=CN(N=C3)C)O

DOS

IR

Vibrations