Geometry & MOs

Info

ID:

416667

PubChem CID:

135089995

Reduced:

SO7N9C37H51 (1)

Stoich.:

AB7C9D37E51 (1)

Weight, g/mol:

366.149204

ΔHf, kcal/mol:

-244.57

Dipole, Da:

8.53

IP(EA), eV:

 -8.65(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)[C@@H]5COCCN5C)C

DOS

IR

Vibrations