Geometry & MOs

Info

ID:

106181

PubChem CID:

50151535

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-231.76

Dipole, Da:

5.14

IP(EA), eV:

 -9.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations