Geometry & MOs

Info

ID:

119432

PubChem CID:

50684818

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-176.88

Dipole, Da:

5.16

IP(EA), eV:

 -9.02(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-chlorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations