Geometry & MOs

Info

ID:

181619

PubChem CID:

76766986

Reduced:

O8N13C37H50 (2)

Stoich.:

A8B13C37D50 (2)

Weight, g/mol:

1782.15086

ΔHf, kcal/mol:

-564.85

Dipole, Da:

14.75

IP(EA), eV:

 -8.58(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[1-[[1-[4-[3-[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]hexadecanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN(C2=O)CC(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CNC=N3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC

DOS

IR

Vibrations