Geometry & MOs

Info

ID:

441648

PubChem CID:

135238435

Reduced:

FON5H16C21 (1)

Stoich.:

ABC5D16E21 (1)

Weight, g/mol:

546.259068

ΔHf, kcal/mol:

50.7

Dipole, Da:

5.46

IP(EA), eV:

 -9.28(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,6aS)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-3a-methoxy-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-(2H-benzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C1=CN=CC(=C1)C2=CC3=C(NC=C3C4=CC(=NC=C4)F)N=C2)C(=O)C=C

DOS

IR

Vibrations