Geometry & MOs

Info

ID:

92954

PubChem CID:

49990732

Reduced:

NOC7H10 (6)

Stoich.:

ABC7D10 (6)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-286.4

Dipole, Da:

8.29

IP(EA), eV:

 -8.33(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations