Geometry & MOs

Info

ID:

299551

PubChem CID:

117687515

Reduced:

SO10C30H46 (1)

Stoich.:

AB10C30D46 (1)

Weight, g/mol:

815.318472

ΔHf, kcal/mol:

-490.63

Dipole, Da:

2.4

IP(EA), eV:

 -9.73(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-[4-[9-[2,6-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenoxy]nonoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C.C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O

DOS

IR

Vibrations