Geometry & MOs

Info

ID:

187563

PubChem CID:

77592742

Reduced:

N4O5H22C23 (1)

Stoich.:

A4B5C22D23 (1)

Weight, g/mol:

510.19032

ΔHf, kcal/mol:

-136.61

Dipole, Da:

11.47

IP(EA), eV:

 -8.78(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-amino-10-(benzylamino)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC=C5N=C4C3=C2)N)NC)OC(=O)C

DOS

IR

Vibrations