Geometry & MOs

Info

ID:

327034

PubChem CID:

126688899

Reduced:

N4O12C35H44 (1)

Stoich.:

A4B12C35D44 (1)

Weight, g/mol:

1017.328213

ΔHf, kcal/mol:

-486.61

Dipole, Da:

3.95

IP(EA), eV:

 -8.67(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-1-[(2S)-1-[[(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)OC(=O)CCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)NC2=O)C

DOS

IR

Vibrations