Geometry & MOs

Info

ID:

107360

PubChem CID:

50199963

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-199.94

Dipole, Da:

5.57

IP(EA), eV:

 -9.03(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N(C)C)C

DOS

IR

Vibrations