Geometry & MOs

Info

ID:

105960

PubChem CID:

50144315

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-236.21

Dipole, Da:

8.91

IP(EA), eV:

 -8.94(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)-4-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations