Geometry & MOs

Info

ID:

106479

PubChem CID:

50164915

Reduced:

Cl2O4N5C28H33 (1)

Stoich.:

A2B4C5D28E33 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-160.57

Dipole, Da:

2.29

IP(EA), eV:

 -8.86(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations