Geometry & MOs

Info

ID:

118783

PubChem CID:

50658764

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

718.324561

ΔHf, kcal/mol:

-167.6

Dipole, Da:

9.43

IP(EA), eV:

 -8.87(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)Cl

DOS

IR

Vibrations