Geometry & MOs

Info

ID:

185308

PubChem CID:

77284575

Reduced:

O3N5C24H34 (2)

Stoich.:

A3B5C24D34 (2)

Weight, g/mol:

738.458102

ΔHf, kcal/mol:

-236.59

Dipole, Da:

8.22

IP(EA), eV:

 -9.15(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(1H-imidazol-5-yl)-N-[1-[10-[[2-[[4-(1H-imidazol-5-yl)benzoyl]amino]-3-methylpentanoyl]amino]decylamino]-3-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCCCCCCCCCCNC(=O)C(C(C)CC)NC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations