Geometry & MOs

Info

ID:

94564

PubChem CID:

50002356

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-280.2

Dipole, Da:

1.97

IP(EA), eV:

 -8.8(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations