Geometry & MOs

Info

ID:

106681

PubChem CID:

50172721

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-245.21

Dipole, Da:

6.07

IP(EA), eV:

 -8.95(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations