Geometry & MOs

Info

ID:

418047

PubChem CID:

135103387

Reduced:

SO4N9C37H47 (1)

Stoich.:

AB4C9D37E47 (1)

Weight, g/mol:

302.13789

ΔHf, kcal/mol:

-79.68

Dipole, Da:

6.03

IP(EA), eV:

 -9.4(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)CCC5=CN=CC=C5)C(C)C

DOS

IR

Vibrations