Geometry & MOs

Info

ID:

114367

PubChem CID:

50480534

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-245.19

Dipole, Da:

6.81

IP(EA), eV:

 -8.23(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations