Geometry & MOs

Info

ID:

118164

PubChem CID:

50631573

Reduced:

ClN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-197.33

Dipole, Da:

6.37

IP(EA), eV:

 -8.8(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=C(C=C3)OC)Cl

DOS

IR

Vibrations