Geometry & MOs

Info

ID:

409315

PubChem CID:

135082095

Reduced:

H16C19 (2)

Stoich.:

A16B19 (2)

Weight, g/mol:

752.4149

ΔHf, kcal/mol:

126.55

Dipole, Da:

1.26

IP(EA), eV:

-8.28(-0.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (13S,15S,17R)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-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]-17-ethyl-17-hydroxy-11-azatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate

Drug info:

PubChemData

Smile

C1CC[C]2[C](C1)[CH][CH][C]2C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)[C]7[CH][CH][C]8[C]7CCCC8

DOS

IR

Vibrations