Geometry & MOs

Info

ID:

91455

PubChem CID:

49975984

Reduced:

N6O7C31H40 (1)

Stoich.:

A6B7C31D40 (1)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-264.75

Dipole, Da:

6.65

IP(EA), eV:

 -8.98(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations