Geometry & MOs

Info

ID:

415021

PubChem CID:

135088001

Reduced:

SN2O2C19H28 (1)

Stoich.:

AB2C2D19E28 (1)

Weight, g/mol:

703.405732

ΔHf, kcal/mol:

-93.35

Dipole, Da:

3.94

IP(EA), eV:

 -8.59(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-7-[(4-methoxyphenyl)methyl]-10-methyl-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=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)CCSC)C

DOS

IR

Vibrations