Geometry & MOs

Info

ID:

334014

PubChem CID:

127252566

Reduced:

N4O5C27H38 (1)

Stoich.:

A4B5C27D38 (1)

Weight, g/mol:

657.352634

ΔHf, kcal/mol:

-206.06

Dipole, Da:

8.47

IP(EA), eV:

 -8.57(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CN3[C@@H](CC2=C1)C(=O)N(C3=O)CCCC(=O)NC[C@@H]4CCCN5[C@@H]4CCCC5)OC

DOS

IR

Vibrations