Geometry & MOs

Info

ID:

308022

PubChem CID:

125311848

Reduced:

SO3N5C15H19 (1)

Stoich.:

AB3C5D15E19 (1)

Weight, g/mol:

656.357385

ΔHf, kcal/mol:

-39.65

Dipole, Da:

3.43

IP(EA), eV:

 -8.86(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7R)-10-[[(2R,3S)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)C)C(=O)NCCN2C3=CC=CC=C3N(S2(=O)=O)C

DOS

IR

Vibrations