Geometry & MOs

Info

ID:

107807

PubChem CID:

50219637

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-223.2

Dipole, Da:

3.98

IP(EA), eV:

 -8.21(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(CC)CC)C

DOS

IR

Vibrations