Geometry & MOs

Info

ID:

106478

PubChem CID:

50164899

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

573.19096

ΔHf, kcal/mol:

-167.25

Dipole, Da:

3.95

IP(EA), eV:

 -8.99(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-1-[2-[2-methyl-4-(pyrrolidine-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)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations