Geometry & MOs

Info

ID:

334798

PubChem CID:

127253473

Reduced:

S2N5O8C35H49 (1)

Stoich.:

A2B5C8D35E49 (1)

Weight, g/mol:

612.294785

ΔHf, kcal/mol:

-264.81

Dipole, Da:

11.83

IP(EA), eV:

 -8.33(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(2-indol-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)N4CCCN(CC4)S(=O)(=O)N5CCCC5)OC)OC)OC

DOS

IR

Vibrations