Geometry & MOs

Info

ID:

116318

PubChem CID:

50556486

Reduced:

BrClO4N5C33H43 (1)

Stoich.:

ABC4D5E33F43 (1)

Weight, g/mol:

641.298012

ΔHf, kcal/mol:

-187.26

Dipole, Da:

5.67

IP(EA), eV:

 -8.82(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C(=C4)C)C)Br)Cl

DOS

IR

Vibrations