Geometry & MOs

Info

ID:

47425

PubChem CID:

10532567

Reduced:

NSiC47H73 (1)

Stoich.:

ABC47D73 (1)

Weight, g/mol:

682.31552

ΔHf, kcal/mol:

-17.0

Dipole, Da:

2.17

IP(EA), eV:

 -8.05(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (14S,15S,19S)-15-ethyl-13-[(12S,15S,19S)-15-ethyl-17-methoxycarbonyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13,16-hexaen-12-yl]-14-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),12,16-hexaene-17-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)CCCCCCCCCCCC)CC#CC#C[Si](CC)(CC)CC

DOS

IR

Vibrations