Geometry & MOs

Info

ID:

90673

PubChem CID:

49971256

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-204.56

Dipole, Da:

7.13

IP(EA), eV:

 -8.67(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations