Geometry & MOs

Info

ID:

106729

PubChem CID:

50174388

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-225.4

Dipole, Da:

6.02

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-chlorophenyl]-1-[1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C)C

DOS

IR

Vibrations