Geometry & MOs

Info

ID:

334107

PubChem CID:

127252659

Reduced:

NO3C10H13 (2)

Stoich.:

AB3C10D13 (2)

Weight, g/mol:

739.405732

ΔHf, kcal/mol:

-210.25

Dipole, Da:

3.04

IP(EA), eV:

 -8.53(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCN(C)C)C2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations