Geometry & MOs

Info

ID:

107310

PubChem CID:

50198410

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-176.83

Dipole, Da:

10.06

IP(EA), eV:

 -8.85(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C)C

DOS

IR

Vibrations