Geometry & MOs

Info

ID:

172966

PubChem CID:

75575874

Reduced:

FON9H14C17 (1)

Stoich.:

ABC9D14E17 (1)

Weight, g/mol:

1293.620567

ΔHf, kcal/mol:

98.87

Dipole, Da:

3.13

IP(EA), eV:

 -9.55(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[15-[3-[3-cyclopentyloxy-N-[(3,5-dichloropyridin-4-yl)methyl]-4-methoxyanilino]propyl]-2-ethyl-14-hydroxy-6-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)N)C1=CN=C2C(=N1)N(N=N2)CC3=C(C=C4C(=C3)C=CC=N4)F

DOS

IR

Vibrations