Geometry & MOs

Info

ID:

607

PubChem CID:

3067

Reduced:

N5O5C31H39 (1)

Stoich.:

A5B5C31D39 (1)

Weight, g/mol:

561.295119

ΔHf, kcal/mol:

-189.17

Dipole, Da:

9.13

IP(EA), eV:

 -8.55(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

DOS

IR

Vibrations