Geometry & MOs

Info

ID:

102595

PubChem CID:

50068544

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-187.81

Dipole, Da:

11.65

IP(EA), eV:

 -8.77(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations