Geometry & MOs

Info

ID:

114760

PubChem CID:

50496088

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-234.89

Dipole, Da:

4.71

IP(EA), eV:

 -8.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(dimethylcarbamoyl)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=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations