Geometry & MOs

Info

ID:

106362

PubChem CID:

50160072

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-222.15

Dipole, Da:

5.36

IP(EA), eV:

 -8.85(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations