Geometry & MOs

Info

ID:

106062

PubChem CID:

50148130

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-223.5

Dipole, Da:

6.56

IP(EA), eV:

 -8.77(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations