Geometry & MOs

Info

ID:

95714

PubChem CID:

50012873

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-235.58

Dipole, Da:

6.15

IP(EA), eV:

 -8.91(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations