Geometry & MOs

Info

ID:

106216

PubChem CID:

50153282

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-219.97

Dipole, Da:

6.91

IP(EA), eV:

 -8.91(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)C

DOS

IR

Vibrations