Geometry & MOs

Info

ID:

109812

PubChem CID:

50298052

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-263.75

Dipole, Da:

6.65

IP(EA), eV:

 -8.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)N

DOS

IR

Vibrations