Geometry & MOs

Info

ID:

91677

PubChem CID:

49978226

Reduced:

SO5N7C28H39 (1)

Stoich.:

AB5C7D28E39 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-166.73

Dipole, Da:

8.31

IP(EA), eV:

 -8.88(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations