Geometry & MOs

Info

ID:

334256

PubChem CID:

127252808

Reduced:

O3N5C23H25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

746.389079

ΔHf, kcal/mol:

-53.65

Dipole, Da:

5.53

IP(EA), eV:

 -9.05(-0.78)

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-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CCNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations