Geometry & MOs

Info

ID:

440515

PubChem CID:

135230501

Reduced:

F2O5N8C30H32 (1)

Stoich.:

A2B5C8D30E32 (1)

Weight, g/mol:

650.358054

ΔHf, kcal/mol:

-148.11

Dipole, Da:

11.68

IP(EA), eV:

 -8.91(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-4-[5-[[(2S,3R)-5-(2-methoxyethyl)-2-phenyloxolan-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(C(=O)C(=C2)C(=O)NC)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(N=C5)F)F)CCOC

DOS

IR

Vibrations