Geometry & MOs

Info

ID:

106672

PubChem CID:

50172602

Reduced:

N6O6C35H40 (1)

Stoich.:

A6B6C35D40 (1)

Weight, g/mol:

658.291511

ΔHf, kcal/mol:

-194.39

Dipole, Da:

10.73

IP(EA), eV:

 -8.85(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations