Geometry & MOs

Info

ID:

117757

PubChem CID:

50614298

Reduced:

ClO5N6C37H53 (1)

Stoich.:

AB5C6D37E53 (1)

Weight, g/mol:

748.351525

ΔHf, kcal/mol:

-245.12

Dipole, Da:

11.07

IP(EA), eV:

 -8.64(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)C

DOS

IR

Vibrations