Geometry & MOs

Info

ID:

106007

PubChem CID:

50146002

Reduced:

O4N5C34H45 (1)

Stoich.:

A4B5C34D45 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-164.98

Dipole, Da:

8.53

IP(EA), eV:

 -8.94(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations