Geometry & MOs

Info

ID:

186723

PubChem CID:

77473044

Reduced:

SN7O9C47H53 (1)

Stoich.:

AB7C9D47E53 (1)

Weight, g/mol:

624.363533

ΔHf, kcal/mol:

-221.45

Dipole, Da:

7.72

IP(EA), eV:

 -8.56(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-(cyclohexylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC5=CC=C(C=C5)C(=O)NC)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7)OC8=CC=CC=C83

DOS

IR

Vibrations