Geometry & MOs

Info

ID:

109957

PubChem CID:

50302969

Reduced:

BrClO4N5C27H31 (1)

Stoich.:

ABC4D5E27F31 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-150.44

Dipole, Da:

8.22

IP(EA), eV:

 -8.91(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methoxy-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)Cl)C(=O)N

DOS

IR

Vibrations