Geometry & MOs

Info

ID:

439428

PubChem CID:

135229202

Reduced:

N2O3C22H32 (1)

Stoich.:

A2B3C22D32 (1)

Weight, g/mol:

784.452348

ΔHf, kcal/mol:

-128.15

Dipole, Da:

2.66

IP(EA), eV:

 -8.43(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,6S)-6,8-diethyl-2-[(1R,9R,10S,11R,12R,19S)-12-ethyl-10-(hydrazinecarbonyl)-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-6-hydroxy-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),12,14,16-tetraene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@]1(CCCC(C2=C(CCN(C1)CC)C3=CC=CC=C3N2)C(=O)OC)O

DOS

IR

Vibrations