Geometry & MOs

Info

ID:

84784

PubChem CID:

49869857

Reduced:

ClON3C16H18 (1)

Stoich.:

ABC3D16E18 (1)

Weight, g/mol:

678.383092

ΔHf, kcal/mol:

0.78

Dipole, Da:

4.53

IP(EA), eV:

 -8.41(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E,7E,9Z,11Z)-13-[[1-[[(1Z,6E)-4-[tert-butyl(dimethyl)silyl]oxy-7-chloroocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-hydroxy-6,8-dimethyl-13-oxotrideca-2,7,9,11-tetraenoate

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C4=NC5=C(O4)C=C(C=C5)Cl

DOS

IR

Vibrations