Geometry & MOs

Info

ID:

84552

PubChem CID:

49867799

Reduced:

P2N3C20O20H31 (1)

Stoich.:

A2B3C20D20E31 (1)

Weight, g/mol:

503.09158

ΔHf, kcal/mol:

-1007.47

Dipole, Da:

7.84

IP(EA), eV:

 -10.35(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)O[C@@H]1[C@@H]([C@@H](O[C@@H]([C@@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO

DOS

IR

Vibrations