Geometry & MOs

Info

ID:

112704

PubChem CID:

50416421

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-275.09

Dipole, Da:

8.47

IP(EA), eV:

 -8.94(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(diethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations