Geometry & MOs

Info

ID:

334692

PubChem CID:

127253367

Reduced:

N6O7C40H50 (1)

Stoich.:

A6B7C40D50 (1)

Weight, g/mol:

725.28832

ΔHf, kcal/mol:

-185.59

Dipole, Da:

4.99

IP(EA), eV:

 -8.36(-0.32)

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)N(C(=N2)CN3CCOCC3)C)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations