Geometry & MOs

Info

ID:

120134

PubChem CID:

50715101

Reduced:

BrClO4N5C31H39 (1)

Stoich.:

ABC4D5E31F39 (1)

Weight, g/mol:

742.337624

ΔHf, kcal/mol:

-159.27

Dipole, Da:

7.19

IP(EA), eV:

 -9.14(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations