Geometry & MOs

Info

ID:

430313

PubChem CID:

135170377

Reduced:

SN2O3H24C27 (1)

Stoich.:

AB2C3D24E27 (1)

Weight, g/mol:

534.172562

ΔHf, kcal/mol:

-49.76

Dipole, Da:

8.1

IP(EA), eV:

 -8.45(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-10-(3-hydroxyphenyl)-12-oxo-9-thia-2-azatetracyclo[9.8.0.03,8.013,19]nonadeca-1(11),3,5,7,13,16,18-heptaene-17-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2

DOS

IR

Vibrations