Geometry & MOs

Info

ID:

107051

PubChem CID:

50186785

Reduced:

BrN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

626.261961

ΔHf, kcal/mol:

-226.93

Dipole, Da:

8.0

IP(EA), eV:

 -8.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-5-chloroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations