Geometry & MOs

Info

ID:

105967

PubChem CID:

50144599

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-228.13

Dipole, Da:

5.26

IP(EA), eV:

 -8.87(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations