Geometry & MOs

Info

ID:

119742

PubChem CID:

50699434

Reduced:

BrClO5N6C30H36 (1)

Stoich.:

ABC5D6E30F36 (1)

Weight, g/mol:

661.243389

ΔHf, kcal/mol:

-197.84

Dipole, Da:

6.34

IP(EA), eV:

 -9.27(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations