Geometry & MOs

Info

ID:

66346

PubChem CID:

46504391

Reduced:

N4O6H34C35 (1)

Stoich.:

A4B6C34D35 (1)

Weight, g/mol:

608.182648

ΔHf, kcal/mol:

-60.71

Dipole, Da:

8.94

IP(EA), eV:

 -7.91(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[12-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N6CCN(CC6)CC7=C(C(=C(C=C7)OC)OC)OC

DOS

IR

Vibrations