Geometry & MOs

Info

ID:

91893

PubChem CID:

49979893

Reduced:

N6O7C36H50 (1)

Stoich.:

A6B7C36D50 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-291.8

Dipole, Da:

8.52

IP(EA), eV:

 -8.39(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)OC

DOS

IR

Vibrations