Geometry & MOs

Info

ID:

319913

PubChem CID:

126657563

Reduced:

O3N8H28C32 (1)

Stoich.:

A3B8C28D32 (1)

Weight, g/mol:

945.481583

ΔHf, kcal/mol:

75.22

Dipole, Da:

0.92

IP(EA), eV:

 -8.59(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-phenyl-N-[(2S,3S,4R)-1-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)hept-6-en-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=NC=C(C=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=C(C=C6)C(=O)N7CCOCC7)N=C2

DOS

IR

Vibrations