Geometry & MOs

Info

ID:

437460

PubChem CID:

135226323

Reduced:

FSO3N8C27H29 (1)

Stoich.:

ABC3D8E27F29 (1)

Weight, g/mol:

604.244561

ΔHf, kcal/mol:

5.19

Dipole, Da:

11.12

IP(EA), eV:

 -8.63(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[5-[[(2S,3R,5S)-2-(2-fluoropyridin-4-yl)-5-(2-methoxyethyl)oxolan-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations