Geometry & MOs

Info

ID:

415170

PubChem CID:

135088161

Reduced:

ClSN2O4C15H21 (1)

Stoich.:

ABC2D4E15F21 (1)

Weight, g/mol:

653.324705

ΔHf, kcal/mol:

-162.67

Dipole, Da:

6.87

IP(EA), eV:

 -9.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-10-methyl-17-(2-methylsulfanylacetyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations