Geometry & MOs

Info

ID:

441305

PubChem CID:

135234066

Reduced:

OF2S2N8C28H30 (1)

Stoich.:

AB2C2D8E28F30 (1)

Weight, g/mol:

294.124739

ΔHf, kcal/mol:

6.18

Dipole, Da:

5.29

IP(EA), eV:

 -8.93(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(4S)-4-butan-2-yl-7-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-N-methylidenecarbamimidoyl chloride

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)C2=NN=C(S2)NC(=O)CC3=NC(=CC=C3)N4CC(C4)(F)F)C5=NN=C(S5)NCCC6=CC=CC=C6

DOS

IR

Vibrations