Geometry & MOs

Info

ID:

328258

PubChem CID:

126700419

Reduced:

ON2C5H5 (4)

Stoich.:

AB2C5D5 (4)

Weight, g/mol:

558.211449

ΔHf, kcal/mol:

-53.13

Dipole, Da:

10.42

IP(EA), eV:

 -8.93(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(19S)-19-ethynyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxycarbonyl-methylamino]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@H]4CCC(=O)OC4=O

DOS

IR

Vibrations