Geometry & MOs

Info

ID:

114761

PubChem CID:

50496096

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-220.07

Dipole, Da:

11.34

IP(EA), eV:

 -8.88(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations