Geometry & MOs

Info

ID:

418217

PubChem CID:

135103886

Reduced:

OSN4C21H24 (1)

Stoich.:

ABC4D21E24 (1)

Weight, g/mol:

723.352652

ΔHf, kcal/mol:

26.02

Dipole, Da:

5.33

IP(EA), eV:

 -8.81(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-[2-(dimethylamino)acetyl]-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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=C(C(=NN1)C)CCCNC(=O)C2=CC=C(C=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations