Geometry & MOs

Info

ID:

107417

PubChem CID:

50202414

Reduced:

FO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-267.21

Dipole, Da:

10.44

IP(EA), eV:

 -8.73(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-chloro-5-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C

DOS

IR

Vibrations