Geometry & MOs

Info

ID:

111535

PubChem CID:

50371508

Reduced:

SO4N5C33H43 (1)

Stoich.:

AB4C5D33E43 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-156.06

Dipole, Da:

5.01

IP(EA), eV:

 -8.41(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)SC)C(=O)NC5CCCC5

DOS

IR

Vibrations