Geometry & MOs

Info

ID:

307713

PubChem CID:

125308460

Reduced:

ON6C15H20 (1)

Stoich.:

AB6C15D20 (1)

Weight, g/mol:

718.303636

ΔHf, kcal/mol:

29.74

Dipole, Da:

5.5

IP(EA), eV:

 -8.93(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-10-[[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=NC(=NC1=O)N2CCN(CC2)C3=NC=CC=N3)C

DOS

IR

Vibrations