Geometry & MOs

Info

ID:

226108

PubChem CID:

87325752

Reduced:

ClSN4O5C24H29 (1)

Stoich.:

ABC4D5E24F29 (1)

Weight, g/mol:

526.148849

ΔHf, kcal/mol:

-150.38

Dipole, Da:

7.54

IP(EA), eV:

 -9.38(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19S)-19-ethyl-19-hydroxy-7-[(E)-hydroxyiminomethyl]-10-[(4-nitrophenyl)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC(C)(C)N(C(=O)O)C(C)(CC1=CC=CC=C1)C2=CN=C(O2)C3=CC(=NC(=C3)Cl)N(C)S(=O)(=O)C

DOS

IR

Vibrations