Geometry & MOs

Info

ID:

120177

PubChem CID:

50716602

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-205.51

Dipole, Da:

9.93

IP(EA), eV:

 -8.32(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations