Geometry & MOs

Info

ID:

110005

PubChem CID:

50304713

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-181.73

Dipole, Da:

9.02

IP(EA), eV:

 -8.8(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C(=CC=C4)Cl)Cl)C(=O)NC(C)C

DOS

IR

Vibrations