Geometry & MOs

Info

ID:

118312

PubChem CID:

50637891

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-218.77

Dipole, Da:

5.65

IP(EA), eV:

 -8.3(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)NC(=O)C

DOS

IR

Vibrations