Geometry & MOs

Info

ID:

416563

PubChem CID:

135089684

Reduced:

SO2N3C16H23 (1)

Stoich.:

AB2C3D16E23 (1)

Weight, g/mol:

675.338047

ΔHf, kcal/mol:

-75.74

Dipole, Da:

3.68

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13R,19R,23S)-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-17-(1H-pyrrole-3-carbonyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2CCCN(CC2)C(=O)CSC)C

DOS

IR

Vibrations