Geometry & MOs

Info

ID:

47476

PubChem CID:

10533152

Reduced:

NO2C15H27 (3)

Stoich.:

AB2C15D27 (3)

Weight, g/mol:

760.388766

ΔHf, kcal/mol:

-387.05

Dipole, Da:

4.86

IP(EA), eV:

 -9.55(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-[(2-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)[C@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations