Geometry & MOs

Info

ID:

90734

PubChem CID:

49971776

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-261.41

Dipole, Da:

11.63

IP(EA), eV:

 -8.61(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations