Geometry & MOs

Info

ID:

95080

PubChem CID:

50006168

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

718.441784

ΔHf, kcal/mol:

-275.54

Dipole, Da:

5.25

IP(EA), eV:

 -8.13(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)CC)OC

DOS

IR

Vibrations