Geometry & MOs

Info

ID:

119560

PubChem CID:

50690246

Reduced:

BrClO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-167.6

Dipole, Da:

5.8

IP(EA), eV:

 -8.96(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-benzamido-3-methylanilino)-2-oxoethyl]-1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations