Geometry & MOs

Info

ID:

172300

PubChem CID:

75491534

Reduced:

O9H20C27 (1)

Stoich.:

A9B20C27 (1)

Weight, g/mol:

603.294451

ΔHf, kcal/mol:

-268.51

Dipole, Da:

5.04

IP(EA), eV:

 -8.81(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)C2CC(=O)OC3=C2C4=C(C(=C3)O)C(=O)C(=C(O4)C5=CC(=C(C=C5)O)O)O

DOS

IR

Vibrations