Geometry & MOs

Info

ID:

185307

PubChem CID:

77284161

Reduced:

F2N8H22C23 (1)

Stoich.:

A2B8C22D23 (1)

Weight, g/mol:

880.53233

ΔHf, kcal/mol:

53.92

Dipole, Da:

2.68

IP(EA), eV:

 -9.19(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[10-[[2-[[2-benzamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]decylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC12CCCCN1C3=NC(=NC=C3N4C2=NN=C4C)N5C=CN=C5C6=C(C(=CC=C6)F)F

DOS

IR

Vibrations