Geometry & MOs

Info

ID:

144503

PubChem CID:

53378673

Reduced:

NO24C57H89 (1)

Stoich.:

AB24C57D89 (1)

Weight, g/mol:

546.142485

ΔHf, kcal/mol:

-1145.39

Dipole, Da:

6.22

IP(EA), eV:

 -9.2(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)OC)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations