Geometry & MOs

Info

ID:

107486

PubChem CID:

50205008

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-256.27

Dipole, Da:

5.31

IP(EA), eV:

 -8.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations