Geometry & MOs

Info

ID:

420968

PubChem CID:

135115137

Reduced:

ClO6N7C36H46 (1)

Stoich.:

AB6C7D36E46 (1)

Weight, g/mol:

397.175004

ΔHf, kcal/mol:

-236.69

Dipole, Da:

5.73

IP(EA), eV:

 -8.94(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CN5C=C(C=CC5=N4)Cl)C(C)C

DOS

IR

Vibrations