Geometry & MOs

Info

ID:

118810

PubChem CID:

50659873

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-167.42

Dipole, Da:

3.67

IP(EA), eV:

 -9.14(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations