Geometry & MOs

Info

ID:

334691

PubChem CID:

127253366

Reduced:

NO2H9C12 (2)

Stoich.:

AB2C9D12 (2)

Weight, g/mol:

726.374098

ΔHf, kcal/mol:

-42.79

Dipole, Da:

7.49

IP(EA), eV:

 -8.58(-1.32)

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-(morpholin-4-ylmethyl)benzimidazol-5-yl]pentanamide

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53)OC

DOS

IR

Vibrations