Geometry & MOs

Info

ID:

107364

PubChem CID:

50200411

Reduced:

FO5N6C41H53 (1)

Stoich.:

AB5C6D41E53 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-260.53

Dipole, Da:

2.88

IP(EA), eV:

 -8.56(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations