Geometry & MOs

Info

ID:

187429

PubChem CID:

77571708

Reduced:

N2F3O4C26H31 (1)

Stoich.:

A2B3C4D26E31 (1)

Weight, g/mol:

889.23086

ΔHf, kcal/mol:

-287.9

Dipole, Da:

4.74

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C2CCCC3C2CNN3)C4=CC=C(C=C4)C(F)(F)F)OC(C)(C)C(=O)O

DOS

IR

Vibrations