Geometry & MOs

Info

ID:

300458

PubChem CID:

121285136

Reduced:

ON4C18H18 (1)

Stoich.:

AB4C18D18 (1)

Weight, g/mol:

626.24756

ΔHf, kcal/mol:

86.46

Dipole, Da:

7.45

IP(EA), eV:

 -8.76(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3S,4S,11S)-8-butoxy-4-(dimethylamino)-18-formyl-11,14-dihydroxy-19-methoxy-10,12-dioxo-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaen-16-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC1(CN(C(=O)N1C)C2=NN=C(C=C2)C#CC3=CC=CC=C3)C

DOS

IR

Vibrations