Geometry & MOs

Info

ID:

59490

PubChem CID:

24875114

Reduced:

FSO2N9H18C23 (1)

Stoich.:

ABC2D9E18F23 (1)

Weight, g/mol:

513.198534

ΔHf, kcal/mol:

88.02

Dipole, Da:

2.62

IP(EA), eV:

 -9.03(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C(=O)C4=CNC5=C4C(=CN=C5N6C=CN=N6)F

DOS

IR

Vibrations