Geometry & MOs

Info

ID:

117571

PubChem CID:

50607794

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-244.64

Dipole, Da:

2.61

IP(EA), eV:

 -9.24(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations