Geometry & MOs

Info

ID:

91396

PubChem CID:

49975673

Reduced:

N6O7C38H46 (1)

Stoich.:

A6B7C38D46 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-245.76

Dipole, Da:

6.82

IP(EA), eV:

 -8.65(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(2-fluorophenyl)carbamoyl]-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)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations