Geometry & MOs

Info

ID:

104704

PubChem CID:

50104915

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-201.69

Dipole, Da:

7.22

IP(EA), eV:

 -8.72(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations