Geometry & MOs

Info

ID:

118662

PubChem CID:

50652606

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

750.330789

ΔHf, kcal/mol:

-264.95

Dipole, Da:

11.64

IP(EA), eV:

 -9.1(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations