Geometry & MOs

Info

ID:

334143

PubChem CID:

127252695

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

650.310435

ΔHf, kcal/mol:

-162.74

Dipole, Da:

2.27

IP(EA), eV:

 -8.29(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations