Geometry & MOs

Info

ID:

107427

PubChem CID:

50202640

Reduced:

F3O5N6C33H35 (1)

Stoich.:

A3B5C6D33E35 (1)

Weight, g/mol:

650.379183

ΔHf, kcal/mol:

-306.7

Dipole, Da:

6.55

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methoxy-4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations