Geometry & MOs

Info

ID:

334905

PubChem CID:

127253711

Reduced:

NO2C15H18 (2)

Stoich.:

AB2C15D18 (2)

Weight, g/mol:

739.30397

ΔHf, kcal/mol:

-143.45

Dipole, Da:

2.91

IP(EA), eV:

 -8.73(-0.88)

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]-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NC[C@@H]4CCCN5[C@@H]4CCCC5

DOS

IR

Vibrations