Geometry & MOs

Info

ID:

104141

PubChem CID:

50092190

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-200.59

Dipole, Da:

9.23

IP(EA), eV:

 -8.47(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations