Geometry & MOs

Info

ID:

94028

PubChem CID:

49998293

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-233.3

Dipole, Da:

6.86

IP(EA), eV:

 -8.71(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-chloroanilino)-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)Cl

DOS

IR

Vibrations