Geometry & MOs

Info

ID:

105970

PubChem CID:

50144774

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-167.45

Dipole, Da:

5.1

IP(EA), eV:

 -8.52(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations