Geometry & MOs

Info

ID:

405660

PubChem CID:

135074873

Reduced:

N2O2C29H30 (1)

Stoich.:

A2B2C29D30 (1)

Weight, g/mol:

445.116152

ΔHf, kcal/mol:

10.23

Dipole, Da:

1.95

IP(EA), eV:

 -8.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methoxymethyl 2-[(1S,2S,8Z,20R)-4-methoxy-2-methyl-17-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-3,8,13,15,18-pentaen-6,10-diyn-3-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C(C#CCN(C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations