Geometry & MOs

Info

ID:

437137

PubChem CID:

135215171

Reduced:

F3N8O8C45H71 (1)

Stoich.:

A3B8C8D45E71 (1)

Weight, g/mol:

696.489796

ΔHf, kcal/mol:

-562.3

Dipole, Da:

3.57

IP(EA), eV:

 -9.11(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-(butanoylamino)-2-methylpropanoyl]amino]acetyl]-propan-2-ylamino]-N-[1-[[1-[[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NCC(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C)NC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations