Geometry & MOs

Info

ID:

116470

PubChem CID:

50561900

Reduced:

ClSO4N7C26H36 (1)

Stoich.:

ABC4D7E26F36 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-148.74

Dipole, Da:

10.73

IP(EA), eV:

 -8.92(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations